计算溶液所需的质量、体积或浓度。
| 活性类型 | Relation | Activity value | Units | Action Type | 期刊 | PubMed Id | doi | Assay Aladdin ID |
|---|
为什么选择此级别
，适用于对基线干扰要求严格的色谱和分析工作流程。
储存与运输
-80℃储存。特低温运输 。请查阅批次 COA 获取详细规格。
质量文档
SDS、COA、产品数据表及规格说明书均可下载。可通过批号查询获取批次 COA。
文献证明
在色谱分析、有机合成和交叉偶联反应领域已被 37 篇同行评审文献引用。
概述
常带一分子的结晶水，极易溶于水、乙醇，可溶于氯仿，几乎不溶于苯、乙醚。1%的水溶液PH为6.0～7.0。强力振荡其水溶液会产生丰富的泡沫。具有良好的表面活性和杀菌消毒性能。中等毒，半数致死量(大鼠，经口)200mg/kg。有刺激性。
Hexadecylpyridinium chloride monohydrate is a cationic surfactant.
Hexadecylpyridinium chloride monohydrate has been used in a study to assess removal of emulsified oil from oily waste water and removal of emulsified food and mineral oils from waste water.
规格
别名
十六烷基氯化吡啶一水合物
英文别名
1-hexadecylpyridin-1-ium hydrate chloride | Cetylpyridinium chloride (USP) | D01062 | HY-B1289 | (1-Hexadecyl)pyridinium chloride monohydrate | C21H40ClNO | Cetylpyridinium chloride hydrate | 1-Hexadecyl-1-pyridinium Chloride Hydrate | AMY18060 | Cetylpyr
规格或纯度
10mM in DMSO
英文名称
Hexadecylpyridinium chloride monohydrate
储存条件
-80℃储存
运输条件
特低温运输
名称和识别符
PubChem SID
EC号
678-154-9
分子类型
小分子
IUPAC Name
1-hexadecylpyridin-1-ium;chloride;hydrate
INCHI
1S/C21H38N.ClH.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H;1H2/q+1;;/p-1
InChi Key
NFCRBQADEGXVDL-UHFFFAOYSA-M
Smiles
CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.O.[Cl-]
Isomeric SMILES
CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.O.[Cl-]
UN Number
分子量
358.00
Beilstein号
3578606
Reaxy-Rn
17134807
Reaxys-RN link address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=17134807&ln=
技术文档
高级数据
系统学分类
分类树（Taxonomy Tree）
| 界（kingdom) | 有机化合物 |
|---|---|
| 超类（Superclass) | 有机杂环化合物 |
| 类（Class) | 吡啶及其衍生物 |
| 亚类（Subclass） | 吡啶衍生物 |
| 中间层级节点（Intermediate Tree Nodes） | 暂无 |
| 直接上位类(Direct Parent) | 吡啶衍生物 |
| 其他上位类（Alternative Parents） | 杂芳族化合物 氮杂环化合物 有机光子化合物 有机氮化合物 有机氧化物 有机氯化物盐 碳氢化合物衍生物 |
| 分子骨架（Molecular Framework) | 芳香族杂单环化合物 |
| 取代基（Substituents） | 芳香族杂单环化合物 - 氮杂环 - 杂芳香族化合物 - 烃衍生物 - 有机氯酸盐 - 有机硝基化合物 - 有机氧化物 - 有机氧化合物 - 有机盐 - 有机氮化合物 - 有机氮化合物 - 吡啶鎓 |
| 描述（Description） | 该化合物属于吡啶鎓衍生物类有机化合物。这类化合物含有吡啶鎓环，即吡啶的阳离子形式。 |
| 外部描述符（External Descriptors） | hydrate |
三维结构
交互式化学结构模型
关联靶点（人）
Caco-2
(12174 活性数据)
SLCO1B1
Tchem
Solute carrier organic anion transporter family member 1B1
(2672 活性数据)
SLCO1B3
Tchem
Solute carrier organic anion transporter family member 1B3
(2517 活性数据)
OPRD1
Tclin
Opioid receptors; mu & delta
(1530 活性数据)
RAD52
Tchem
DNA repair protein RAD52 homolog
(856 活性数据)
HSPD1
Tbio
HSP60/HSP10
(366 活性数据)
TST
Tchem
Thiosulfate sulfurtransferase
(144 活性数据)
关联靶点（其它种属）
Mc4r
Melanocortin receptor 4 (1205 活性数据)
rep
Replicase polyprotein 1ab (378 活性数据)
groL
GroEL/GroES (1042 活性数据)
groEL
60 kDa chaperonin (64 活性数据)
SARS-CoV-2 (38078 活性数据)
作用机制
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
化学和物理性质
熔点
81°C-86°C
分子量
358.000 g/mol
XLogP3
氢键供体数Hydrogen Bond Donor Count
1
氢键受体数Hydrogen Bond Acceptor Count
2
可旋转键计数Rotatable Bond Count
15
精确质量Exact Mass
357.28 Da
单同位素质量Monoisotopic Mass
357.28 Da
拓扑极表面积Topological Polar Surface Area
4.900 Ų
重原子数Heavy Atom Count
24
形式电荷Formal Charge
0
复杂度Complexity
208.000
同位素原子数Isotope Atom Count
0
定义的原子立体中心计数Defined Atom Stereocenter Count
0
未定义的原子立体中心计数Undefined Atom Stereocenter Count
0
定义的键立体中心计数Defined Bond Stereocenter Count
0
未定义的键立体中心计数Undefined Bond Stereocenter Count
0
所有立体化学键的总数The total count of all stereochemical bonds
0
共价键合单元计数Covalently-Bonded Unit Count
3
安全和危险性（GHS）
信号词
危险
危险声明
H301: 吞咽会中毒
H315: 引起皮肤刺激
H318: 造成严重的眼睛损伤
H330: 吸入致命
H335: 可能引起呼吸道刺激
H400: 对水生生物有剧毒
H410: 对水生生物有剧毒并具有长期持续影响
预防措施声明
P260: 不要吸入灰尘/烟雾/气体/雾/蒸汽/喷雾。
P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾
P264: 处理后要彻底洗手。
P270: 使用本产品时，请勿进食、饮水或吸烟。
P271: 仅在室外或通风良好的地方使用。
P273: 避免释放到环境中。
P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。
P284: 如果通风不良，请佩戴呼吸防护装置。
P320: 迫切需要特殊治疗（请参阅此标签上的...）。
P321: 特殊处理（请参阅此标签上的...）。
P330: 漱口
P391: 收集溢出物
P302+P352: 如皮肤沾染：用水充分清洗。
P304+P340: 如误吸入：将人转移到空气新鲜处，保持呼吸舒适体位。
P362+P364: 脱掉沾污的衣服，清洗后方可重新使用。
P405: 密闭存放
P403+P233: 存放在通风良好的地方。保持容器密闭。
P501: 将内容物/容器处理到。。。
P264+P265: 处理后彻底洗手[和…]。不要触摸眼睛。
P301+P316: 如果吞咽：立即寻求紧急医疗救助。
P305+P354+P338: 如果进入眼睛：立即用水冲洗几分钟。取下隐形眼镜（如果有的话），并且操作简单。继续冲洗。
P317: 寻求紧急医疗救助。
P332+P317: 如果出现皮肤刺激：请寻求医疗帮助。
P316: 立即寻求紧急医疗救助。
P319: 如果你感到不适，请寻求医疗帮助。
WGK Germany
3
RTECS
UU5075000
Merck Index
2032
个人防护装备
Eyeshields,Faceshields,full-face particle respirator type N100 (US),Gloves,respirator cartridge type N100 (US),type P1 (EN143) respirator filter,type P3 (EN 143) respirator cartridges
质检证书（CoA,COO,BSE/TSE 和分析图谱)
C of A & Other Certificates(BSE/TSE, COO):
输入批号以搜索分析图谱:
技术文档和文章
此产品的引用文献
引用文献
| 1. Xiaoyu Liu, Beike Wang, Maolin Chang, Xiaocen Zhang, Hao Zou, Zhen Zhang, Guangli Han. (2023) USP12 regulates ER stress-associated osteogenesis in human periodontal ligament cells under tension stress. CELLULAR SIGNALLING, [PMID:38113977] [10.1016/j.cellsig.2023.111015] |
| 2. Xinyue Wang, Liuxu Sun, Xuan Qin, Jiayi You, Jing Zhang, Yang Xia. (2023) Enhanced Anti-inflammatory Capacity of the Conditioned Medium Derived from Periodontal Ligament Stem Cells Modified with an Iron-Based Nanodrug. Advanced Biology, [PMID:37409394] [10.1002/adbi.202300044] |
| 3. Chenqi Zhang, Xinshuang Gao, Hanbo Li, Yinglu Ji, Rui Cai, Zhijian Hu, Xiaochun Wu. (2023) Regulation of Chirality Transfer and Amplification from Chiral Cysteine to Gold Nanorod Assemblies using Nonchiral Surface Ligands. Advanced Optical Materials, 11 (18): (2202804). [10.1002/adom.202202804] |
| 4. Liang Wang, Qiushi Li, Haibo Yan, Guangjun Jiao, Hongliang Wang, Hai Chi, Hongming Zhou, Lu Chen, Yu Shan, Yunzhen Chen. (2022) Resveratrol Protects Osteoblasts Against Dexamethasone-Induced Cytotoxicity Through Activation of AMP-Activated Protein Kinase. Drug Design Development and Therapy, [PMID:33122889] [10.2147/DDDT.S266502] |
| 5. Yamin Lv, Zhenning Yan, Liyun Liu. (2022) Study on the interactions of tetradecylpyridinium dl-mandelic acid and cetylpyridinium dl-mandelic acid with some small biomolecules in aqueous solution. JOURNAL OF CHEMICAL THERMODYNAMICS, [10.1016/j.jct.2022.106912] |
| 6. Fan Wang, Qinghua Yu, Jia Li, Junhao Jiang, Tao Deng, Chao Yu. (2022) Biomimetic macrophage membrane-coated gold-quantum dots with tumor microenvironment stimuli-responsive capability for tumor theranostic. Materials Today Bio, [PMID:35937575] [10.1016/j.mtbio.2022.100359] |
| 7. Wang Ningning, Qi Desheng, Liu Lu, Zhu Yanlin, Liu Hong, Zhu Song. (2022) Fabrication of In Situ Grown Hydroxyapatite Nanoparticles Modified Porous Polyetheretherketone Matrix Composites to Promote Osteointegration and Enhance Bone Repair. Frontiers in Bioengineering and Biotechnology, [PMID:35295654] [10.3389/fbioe.2022.831288] |
| 8. Yi Chen, Haojing Yin, Debabrata Sikdar, Linglin Yan, Zheng Zhou, Jiacen Sun, Chuan Wang. (2021) Gold Nanopolyhedron-Based Superlattice Sheets as Flexible Surface-Enhanced Raman Scattering Sensors for Detection of 4-Aminothiophenol. ACS Applied Nano Materials, [10.1021/acsanm.1c02884] |
| 9. Chuan Fu, Yikun Jiang, Xiaoyu Yang, Yu Wang, Wei Ji, Guoliang Jia. (2021) Mussel-Inspired Gold Nanoparticle and PLGA/L-Lysine-g-Graphene Oxide Composite Scaffolds for Bone Defect Repair. International Journal of Nanomedicine, [PMID:34621123] [10.2147/IJN.S328390] |
| 10. Zhong-shui Xie, Rong-rong Xing, Xuan Chen, Shuang Hu, Xiao-hong Bai. (2021) Simultaneous preconcentration of both polar and non-polar Q-markers of flavonoids in traditional Chinese medicine by reverse micellar floating solidification liquid-phase microextraction. JOURNAL OF LIQUID CHROMATOGRAPHY & RELATED TECHNOLOGIES, [10.1080/10826076.2022.2026784] |
| 11. Liu Mingyang, Du Xuejun, Xu Ke, Yan Binwei, Fan Zaibi, Gao Zideng, Ren Xueqin. (2021) A cationic quantum dot-based ratiometric fluorescent probe to visually detect berberine hydrochloride in human blood serums. Journal of Analytical Science and Technology, 12 (1): (1-9). [10.1186/s40543-021-00261-x] |
| 12. Zhenning Yan, Xingxing Cao, Meng Sun, Lulu Zhang. (2021) Physicochemical study on molecular interactions in ternary aqueous solutions of the pharmaceutically active ionic liquid cetylpyridinium salicylate and amino acid/glycylglycine at different temperatures. JOURNAL OF MOLECULAR LIQUIDS, [10.1016/j.molliq.2020.115258] |
| 13. Zhao-chan Liu, Shu-mei Zhang, Run-qin Wang, Xuan Chen, Shuang Hu, Xiao-hong Bai. (2019) Comparison of three-phase hollow fiber liquid-phase microextraction based on reverse micelle with conventional two-phase hollow fiber liquid-phase microextraction and their applications for analysis of cinnamic acids in traditional Chinese medicines. JOURNAL OF SEPARATION SCIENCE, 42 (18): (2977-2984). [PMID:31273922] [10.1002/jssc.201900472] |
| 14. Xianhua He, Yi Deng, Yue Yu, Hao Lyu, Li Liao. (2019) Drug-loaded/grafted peptide-modified porous PEEK to promote bone tissue repair and eliminate bacteria. COLLOIDS AND SURFACES B-BIOINTERFACES, [PMID:31234064] [10.1016/j.colsurfb.2019.06.038] |
| 15. Chao Wang, Liuyi Hu, Kang Zhao, Anping Deng, Jianguo Li. (2018) Multiple signal amplification electrochemiluminescent immunoassay for Sudan I using gold nanorods functionalized graphene oxide and palladium/aurum core-shell nanocrystallines as labels. ELECTROCHIMICA ACTA, [10.1016/j.electacta.2018.05.061] |
| 16. Ling Ouyang, Yi Deng, Lei Yang, Xiuyuan Shi, Taosheng Dong, Youyi Tai, Weizhong Yang, Zhi-Gang Chen. (2018) Graphene-Oxide-Decorated Microporous Polyetheretherketone with Superior Antibacterial Capability and In Vitro Osteogenesis for Orthopedic Implant. MACROMOLECULAR BIOSCIENCE, 18 (6): (1800036). [PMID:29719124] [10.1002/mabi.201800036] |
| 17. Jiao Ma, Chengcheng Yang, Shu Zhu, Jinyi Song, Yingzi Fu. (2018) A new nanomatrix based on functionalized fullerene and porous bimetallic nanoparticles for electrochemical chiral sensing. NEW JOURNAL OF CHEMISTRY, 42 (12): (9801-9807). [10.1039/C8NJ01599F] |
| 18. An Xiaojiao, Kang Yong, Li Guishui. (2018) Flocculation of gelatinized starch: Flocculation performance and floc characterization. KOREAN JOURNAL OF CHEMICAL ENGINEERING, 35 (7): (1500-1508). [10.1007/s11814-018-0055-3] |
| 19. Wang Xiangyan, Sun Duanping, Tong Yanli, Zhong Yongsheng, Chen Zuanguang. (2017) A voltammetric aptamer-based thrombin biosensor exploiting signal amplification via synergetic catalysis by DNAzyme and enzyme decorated AuPd nanoparticles on a poly(o-phenylenediamine) support. MICROCHIMICA ACTA, 184 (6): (1791-1799). [10.1007/s00604-017-2160-0] |
| 20. Min Su, Haiyun Liu, Shenguang Ge, Na Ren, Longhua Ding, Jinghua Yu, Xianrang Song. (2016) An electrochemiluminescence lab-on-paper device for sensitive detection of two antigens at the MCF-7 cell surface based on porous bimetallic AuPd nanoparticles. RSC Advances, 6 (20): (16500-16506). [10.1039/C5RA26606H] |
| 21. Wenju Xu, Huayu Yi, Yali Yuan, Pei Jing, Yaqin Chai, Ruo Yuan, George S. Wilson. (2014) An electrochemical aptasensor for thrombin using synergetic catalysis of enzyme and porous Au@Pd core–shell nanostructures for signal amplification. BIOSENSORS & BIOELECTRONICS, [PMID:25280342] [10.1016/j.bios.2014.08.091] |
| 22. Jie-Ning Zheng, Li-Li He, Fang-Yi Chen, Ai-Jun Wang, Meng-Wei Xue, Jiu-Ju Feng. (2014) A facile general strategy for synthesis of palladium-based bimetallic alloyed nanodendrites with enhanced electrocatalytic performance for methanol and ethylene glycol oxidation. Journal of Materials Chemistry A, 2 (32): (12899-12906). [10.1039/C4TA01647E] |
| 23. Junnan Wu, Chen Jiao, Hanjiao Yu, Syed Mesum Raza Naqvi, Mengxing Ge, Kunzhan Cai, Huixin Liang, Jing Liu, Jianfeng Zhao, Zongjun Tian, Dongsheng Wang, Lida Shen. (2024) 3D printed barium titanate/calcium silicate composite biological scaffold combined with structural and material properties. Biomaterials Advances, [PMID:38295646] [10.1016/j.bioadv.2024.213783] |
| 24. Lu Liu, Nan Zhou, Songning Fu, Linlin Wang, Yadong Liu, Changfeng Fu, Feng Xu, Weiying Guo, Yanhua Wu, Jin Cheng, Jun Dai, Yipeng Wang, Xiaofeng Wang, Qiwei Yang, Yuanyi Wang. (2024) Endothelial cell-derived exosomes trigger a positive feedback loop in osteogenesis-angiogenesis coupling via up-regulating zinc finger and BTB domain containing 16 in bone marrow mesenchymal stem cell. JOURNAL OF NANOBIOTECHNOLOGY, [PMID:39563357] [10.1186/s12951-024-03002-5] |
| 25. An Na, Yan Xiaoyuan, Qiu Qiujing, Zhang Zeying, Zhang Xiyue, Zheng Bowen, Zhao Zhenjin, Guo Jiajie, Liu Yi. (2024) Human periodontal ligament stem cell sheets activated by graphene oxide quantum dots repair periodontal bone defects by promoting mitochondrial dynamics dependent osteogenic differentiation. JOURNAL OF NANOBIOTECHNOLOGY, 22 (1): (1-20). [PMID:38539195] [10.1186/s12951-024-02422-7] |
| 26. Yanyan Wang, Ruyu Yan, Hai Yang, Ying Liu, Xiupeng Zhong, Sa Liu, Renjian Xie, Li Ren. (2024) Modular microgel-based bioassembly scaffold induced chondrogenic and osteogenic differentiation of BMSCs. MACROMOLECULAR BIOSCIENCE, [PMID:38663437] [10.1002/mabi.202400051] |
| 27. Jin Wu, Yue Shen, Ping Wang, Zixiang Guo, Jing Bai, Xianli Wang, Dongfang Chen, Xuyang Lin, Chunbo Tang. (2024) Self-Healing Micro Arc Oxidation and Dicalcium Phosphate Dihydrate Double-Passivated Coating on Magnesium Membrane for Enhanced Bone Integration Repair. ACS Biomaterials Science & Engineering, [PMID:38245905] [10.1021/acsbiomaterials.3c01565] |
| 28. Guo Liang, Zhou Shijin, Xue Jinyan, Liu Zenghui, Xu Shuqing, He Zhangxu, Yang Huaixia. (2024) Signal-enhanced electrochemical sensor employing MWCNTs/CMK-3/AuNPs and Au@Pd core–shell structure for sensitive determination of AFB1 in complex matrix. MICROCHIMICA ACTA, 191 (10): (1-13). [PMID:39264373] [10.1007/s00604-024-06665-x] |
| 29. Kai Chen, Zhenyao Qin, Mingjun Zhang, Lin Wang, Shikang Zheng, Yingtong Wang, Chuang Chen, Haoyu Tang, Yuhao Zhong, Hongxuan Yang, Guomin Wu. (2024) The electrical properties and in vitro osteogenic properties of 3D-printed MgO@BT/HA piezoelectric ceramic disk. JOURNAL OF THE AMERICAN CERAMIC SOCIETY, [10.1111/jace.20018] |
| 30. Li-Li He, Pei Song, Jiu-Ju Feng, Rui Fang, Dan-Xia Yu, Jian-Rong Chen, Ai-Jun Wang. (2016) Porous dandelion-like gold@ palladium core-shell nanocrystals in-situ growth on reduced graphene oxide with improved electrocatalytic properties. ELECTROCHIMICA ACTA, [10.1016/j.electacta.2016.03.098] |
| 31. Feixue Gong, Na Du, Wanguo Hou. (2025) Estimation of surface free energy and solubility parameters of solid ionic surfactants. JOURNAL OF COLLOID AND INTERFACE SCIENCE, [PMID:40915289] [10.1016/j.jcis.2025.138914] |
| 32. Qiu Qiujing, Yan Xiaoyuan, Zhang Zeying, Zhang Xiyue, Ma Jiawei, Gao Wenqing, An Na, Qiu Lihong, Guo Jiajie. (2025) Porphyromonas gingivalis extracellular vesicles exacerbated osteoporosis by disrupting osteoblast mitochondrial dynamics and inhibiting Cpt2-regulated fatty acid oxidation. JOURNAL OF NANOBIOTECHNOLOGY, 23 (1): (1-24). [PMID:41074134] [10.1186/s12951-025-03717-z] |
| 33. Ya Zhang, Yanying Zheng, Nansheng Li, Xiaolin Yang, Mingyuan Gao, Yun Zhang, Yali Yuan. (2025) Core-shell Au@Pd plasmonic nanozyme for enhanced broad-spectrum antibacterial activity and effective microbial discrimination. MICROCHEMICAL JOURNAL, [10.1016/j.microc.2025.115952] |
| 34. Chiyu Wen, Chao Wang, Defang Liu, Zhuo Cheng, Jing Zhao, Hongli Zhang, Jun Wang, Guoxiang Zhu, Yongfa Zhu. (2025) Amino-functionalized MIL-100(Fe) enhanced TNT capture and degradation via synergistic electrostatic attraction and hydrogen bond. SEPARATION AND PURIFICATION TECHNOLOGY, [10.1016/j.seppur.2025.136005] |
| 35. Zheng Zhichao, Li Xingyang, Qin Wenguang, Yu Shuiqing, Xu Tianru, Cheng Haoyu, Xie Wei, Fu Zhihe, Pan Guokai, Zhang Yuhui, Huang Wenyan, Liu Fei, Jiang Yifan, Jaspers Richard T., Pathak Janak L., Wu Lihong. (2026) PiR48444 inhibits MSC osteogenic differentiation and bone regeneration via targeting METTL7A/eIF4E-mediated BMP2 m6A methylation. Communications Biology, [PMID:41611981] [10.1038/s42003-026-09583-1] |
| 36. Xuanyan Luo, Huijuan Wu, Yaxi Shu, Fuping Rao, Huiyong Wang, Zhenming Wang, Baozhan Zheng. (2026) Boosting antibacterial activity of positively charged carbon dots: mechanism and application. NEW JOURNAL OF CHEMISTRY, [10.1039/D5NJ04076K] |
| 37. Xiaojing Li, Ya Cui, Liyun Wang, Xingyu Zhou, Jiaqiang Liu, Lingyue Shen, Kaili Lin, Lixia Mao. (2026) Multifunctional Fe-melatonin nanozyme facilitates osteoporotic bone regeneration based on a mitochondrial protection and microenvironment remodeling strategy. CHEMICAL ENGINEERING JOURNAL, [10.1016/j.cej.2026.173749] |
溶液计算器
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危险品化学品经营许可证（带存储）