J2116036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 |
|---|
有货
为什么选择此级别
升华级 提供 ≥99.5% 纯度，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
室温。常规运输 。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 22 篇同行评审文献引用。
规格
别名
苯酰胺
英文别名
AKOS000118773 | SMR000059089 | Phenyl Carboxyamide | YSKVTRZUSMWAQJ-UHFFFAOYSA-N | A830526 | B 2009 | Benzenecarboxamide | benzene-carboxamide | Benzoic acid amide | BRN 0385876 | DTXCID101709 | NCGC00015142-04 | AI3-01031 | BP-21224 | NCGC00015142-06 | S
规格或纯度
升华级, ≥99.5%
英文名称
Benzamide
储存条件
室温
运输条件
常规运输
纯度
≥99.5%
名称和识别符
PubChem SID
EC号
200-227-7
分子类型
小分子
IUPAC Name
benzamide
INCHI
1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
InChi Key
KXDAEFPNCMNJSK-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)C(=O)N
Isomeric SMILES
C1=CC=C(C=C1)C(=O)N
分子量
121.13
Beilstein号
385876
Reaxy-Rn
385876
Reaxys-RN link address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=385876&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) | 苯类化合物 |
| 类（Class) | 苯及其取代衍生物 |
| 亚类（Subclass） | 苯甲酸及其衍生物 |
| 中间层级节点（Intermediate Tree Nodes） | 暂无 |
| 直接上位类(Direct Parent) | 苯甲酰胺类 |
| 其他上位类（Alternative Parents） | 苯甲酰衍生物 伯羧酸酰胺 有机光子化合物 有机氧化合物 有机氮化合物 有机氧化物 碳氢化合物衍生物 |
| 分子骨架（Molecular Framework) | 芳香族同单环化合物 |
| 取代基（Substituents） | 芳香族同单环化合物 - 苯甲酰胺 - 苯甲酰 - 羧酰胺基 - 羧酸衍生物 - 烃衍生物 - 有机硝基化合物 - 有机氧化物 - 有机氧化合物 - 有机氮化合物 - 有机氧化合物 - 有机氮化合物 - 醛基胺 |
| 描述（Description） | 该化合物属于苯甲酰胺类有机化合物。这类化合物具有羧酰胺基团，该基团连接于苯环上。 |
| 外部描述符（External Descriptors） | benzamides |
三维结构
交互式化学结构模型
关联靶点（人）
TSHR
Tclin
Thyroid stimulating hormone receptor
(29986 活性数据)
POLB
Tchem
DNA polymerase beta
(23632 活性数据)
ARSA
Tbio
Cerebroside-sulfatase
(655 活性数据)
PARP1
Tclin
Poly [ADP-ribose] polymerase-1
(6206 活性数据)
CYP2C19
Tchem
Cytochrome P450 2C19
(29246 活性数据)
CYP3A4
Tclin
Cytochrome P450 3A4
(53859 活性数据)
SH-SY5Y
(11521 活性数据)
Lymphoblastoid cell
(5959 活性数据)
HSD17B10
Tchem
Endoplasmic reticulum-associated amyloid beta-peptide-binding protein
(20669 活性数据)
| 活性类型 | Relation | Activity value | Units | Action Type | 期刊 | PubMed Id | doi | Assay Aladdin ID |
|---|
APEX1
Tchem
DNA-(apurinic or apyrimidinic site) lyase
(38016 活性数据)
TDP1
Tchem
Tyrosyl-DNA phosphodiesterase 1
(345557 活性数据)
L3MBTL1
Tchem
Lethal(3)malignant brain tumor-like protein 1
(14536 活性数据)
RECQL
Tbio
ATP-dependent DNA helicase Q1
(5575 活性数据)
BLM
Tchem
Bloom syndrome protein
(4248 活性数据)
GMNN
Tbio
Geminin
(128009 活性数据)
PMP22
Tbio
Peripheral myelin protein 22
(699 活性数据)
CBX1
Tbio
Chromobox protein homolog 1
(92434 活性数据)
MPHOSPH8
Tbio
M-phase phosphoprotein 8
(656 活性数据)
| 活性类型 | Relation | Activity value | Units | Action Type | 期刊 | PubMed Id | doi | Assay Aladdin ID |
|---|
ATXN2
Tbio
Ataxin-2
(54410 活性数据)
PARG
Tchem
Poly(ADP-ribose) glycohydrolase
(228 活性数据)
F7
Tchem
Coagulation factor VII/tissue factor
(740 活性数据)
ADH1A
Tclin
Alcohol dehydrogenase
(35 活性数据)
NNMT
Tchem
Nicotinamide N-methyltransferase
(469 活性数据)
PARP1
Tclin
PARP 1, 2 and 3
(151 活性数据)
关联靶点（其它种属）
ampC
Beta-lactamase AmpC (62480 活性数据)
H9c2 (3506 活性数据)
rep
Replicase polyprotein 1ab (378 活性数据)
Txnrd1
Thioredoxin reductase 1, cytoplasmic (45279 活性数据)
Mapt
Microtubule-associated protein tau (6 活性数据)
Nfe2l2
Nuclear factor erythroid 2-related factor 2 (214 活性数据)
nfo
Endonuclease 4 (425 活性数据)
SARS-CoV-2 (38078 活性数据)
Sarm1
NAD(+) hydrolase SARM1 (23 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
密度
1.341
闪点(℃)
180°C
沸点
288 °C
熔点
128°C
分子量
121.140 g/mol
XLogP3
0.600
氢键供体数Hydrogen Bond Donor Count
1
氢键受体数Hydrogen Bond Acceptor Count
1
可旋转键计数Rotatable Bond Count
1
精确质量Exact Mass
121.053 Da
单同位素质量Monoisotopic Mass
121.053 Da
拓扑极表面积Topological Polar Surface Area
43.100 Ų
重原子数Heavy Atom Count
9
形式电荷Formal Charge
0
复杂度Complexity
105.000
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
1
安全和危险性（GHS）
信号词
警告
危险声明
H302: 吞食有害
H341: 怀疑引起遗传缺陷
预防措施声明
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。
P281: 根据需要使用个人防护设备。
P330: 漱口
P405: 密闭存放
P501: 将内容物/容器处理到。。。
P203: 使用前，获取、阅读并遵守所有安全说明。
P301+P317: 如果被吞咽：请寻求医疗帮助。
P318: 如果暴露或担心，请就医。
WGK Germany
1
RTECS
CU8700000
Merck Index
1060
个人防护装备
dust mask type N95 (US), Eyeshields, Gloves
质检证书（CoA,COO,BSE/TSE 和分析图谱)
技术文档和文章
How to Construct Nitriles: Route Selection Across Direct Introduction, Precursor Dehydration, Oxidation/Dehydrogenation, and Cyanide-Free Processes
目录： 技术文章
Experimental Selection of Burgess Reagent: A Decision Framework for Alcohol Dehydration, Primary Amide/Aldoxime Dehydration, and Oxazoline/Thiazoline Cyclization
目录： 技术文章
此产品的引用文献
引用文献
| 1. Dongfang Huang, Guixiang Ma, Zhixiao Yu, Peng Lv, Quanbao Zhou, Quanyu Liu, Cheng Peng, Fan Xiong, Yan Huang. (2023) Highly thermal conductive shape-stabilized composite phase change materials based on boron nitride and expanded graphite for solar thermal applications. RSC Advances, 13 (19): (13252-13262). [PMID:37124017] [10.1039/D3RA01166F] |
| 2. Xiaohua Zhang, Tianyi Li, Anqi He, Limin Yang, Isao Noda, Yukihiro Ozaki, Yizhuang Xu. (2022) Comprehensive modified approaches to reducing the interference of moisture from an FTIR spectrum and the corresponding second derivative spectrum. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, [PMID:36327803] [10.1016/j.saa.2022.122004] |
| 3. Tingting Lin, Ben Chen, Liqun Fang, Haibo You, Chu Chu, Qingsong Shao, Shengqiang Tong. (2022) Solvent strength of organic phase for two biphasic solvent systems in high speed countercurrent chromatography. JOURNAL OF CHROMATOGRAPHY A, [PMID:36037578] [10.1016/j.chroma.2022.463422] |
| 4. Chen Chen, Qiong Tang, Hong Xu, Lei Liu, Mingxing Tang, Xuekuan Li, Jinxiang Dong. (2021) Alkylation of naphthalene with n-butene catalyzed by liquid coordination complexes and its lubricating properties. CHINESE JOURNAL OF CHEMICAL ENGINEERING, [10.1016/j.cjche.2021.01.014] |
| 5. Guixiang Ma, Jinhe Sun, Yue Zhang, Yan Jing, Yongzhong Jia. (2018) Preparation and thermal properties of stearic acid-benzamide eutectic mixture/expanded graphite composites as phase change materials for thermal energy storage. POWDER TECHNOLOGY, [10.1016/j.powtec.2018.09.074] |
| 6. Jun Fang Jiang, Juan Qiao, Xiao Yu Mu, Myeong Hee Moon, Li Qi. (2016) Fabrication of enzyme reactor utilizing magnetic porous polymer membrane for screening D-Amino acid oxidase inhibitors. TALANTA, [PMID:28153250] [10.1016/j.talanta.2016.12.055] |
| 7. Jin-Gang Yin, Yi Gong, Xiao-Yan Zhang, Gao-Wei Zheng, Jian-He Xu. (2016) Green access to chiral Vince lactam in a buffer-free aqueous system using a newly identified substrate-tolerant (−)-γ-lactamase. Catalysis Science & Technology, 6 (16): (6305-6310). [10.1039/C6CY00786D] |
| 8. Xiaoyu Mu, Juan Qiao, Li Qi, Ying Liu, Huimin Ma. (2014) Construction of a d-Amino Acid Oxidase Reactor Based on Magnetic Nanoparticles Modified by a Reactive Polymer and Its Application in Screening Enzyme Inhibitors. ACS Applied Materials & Interfaces, [PMID:24980686] [10.1021/am502901b] |
| 9. Xiaopei Li, Xiaokun Fan, Kun Huang, Huizhou Liu, Ying Zhao, Yongju Wei, Cuige Liu, Yizhuang Xu, Isao Noda, Jinguang Wu. (2014) Characterization of intermolecular interaction between two substances when one substance does not possess any characteristic peak. JOURNAL OF MOLECULAR STRUCTURE, [10.1016/j.molstruc.2014.01.046] |
| 10. Zhang Xiaoyun, Li Baoqing, Wang Ye, Guo Qinggang, Lu Xiuyun, Li Shezeng, Ma Ping. (2013) Lipopeptides, a novel protein, and volatile compounds contribute to the antifungal activity of the biocontrol agent Bacillus atrophaeus CAB-1. APPLIED MICROBIOLOGY AND BIOTECHNOLOGY, 97 (21): (9525-9534). [PMID:24013222] [10.1007/s00253-013-5198-x] |
| 11. Xinyu Luo, Ziyi Liu, Linfan Wang, Liwei Gao, Dingfeng Wang, Ting Zhang, Da Chen. (2024) Smartphone-assisted sensing platform based on dual-responsive nitrogen-doped carbon dots for enzyme-free and visual quantitative detection of Cu2+ and glyphosate. MICROCHEMICAL JOURNAL, [10.1016/j.microc.2024.112166] |
| 12. Weijie Yang, Runping Wang, Lingqi Wang, Zhijian Tan. (2024) Switchable deep eutectic solvents for the extraction of phlorizin and trilobatin from sweet tea (Lithocarpus litseifolius (Hance) Chun). SEPARATION AND PURIFICATION TECHNOLOGY, [10.1016/j.seppur.2024.129898] |
| 13. Detao Li, Wenqian Chen, Limin Zhou, Li Xu, Feiqiang He, Jerry Y Y Heng, Hamza Shehzad, Jinbo Ouyang. (2024) Uncovering Cocrystal Formation and Competition Mechanism of Polyhydroxy Natural Products: Cases of Quercetin, Hesperidin, Resveratrol, and Curcumin. CRYSTAL GROWTH & DESIGN, [10.1021/acs.cgd.4c00291] |
| 14. Detao Li, Zichen Ning, Zhuoshan Gong, Limin Zhou, Li Xu, Hamza Shehzad, Yan Zhao, Heng Jerry, Jinbo Ouyang. (2024) Unraveling the competitive cocrystallization behavior of natural products and impact of intermolecular interactions on their stability. SEPARATION AND PURIFICATION TECHNOLOGY, [10.1016/j.seppur.2024.130337] |
| 15. Yishuai Pan, Zepeng Rao, Wanchao Yu, Baoliang Chen, Chiheng Chu. (2024) Water Vapor Condensation Triggers Simultaneous Oxidation and Hydrolysis of Organic Pollutants on Iron Mineral Surfaces. ENVIRONMENTAL SCIENCE & TECHNOLOGY, [PMID:38934559] [10.1021/acs.est.4c03195] |
| 16. Dan Li, Chuilong Kong, Bo Hu, Wenbo Lou, Zaixing Yang. (2025) Facile preparation strategy of multicolor room temperature phosphorescent carbon dots for fluorescence interference-free latent fingerprint visualization. OPTICAL MATERIALS, [10.1016/j.optmat.2025.117339] |
| 17. Xuefei Jia, Kaicheng Zhang, Xiaofeng Gao, Xufeng Liao, Yujie Yang, Weisheng Li, Xiaojing Lv, Xinyu Zhao, Jiali Liu, Yitong Ji, Zhongliang Yan, Qingguo Du, Fuzhi Huang, Zhiwei Ren, Yaxin Zhai, Wenchao Huang, Yang Bai, Canglang Yao, Qianqian Lin, Yi-Bing Cheng, Jinhui Tong. (2025) Defect passivation and crystallization modulation in methylammonium-free wide-bandgap perovskites for all-perovskite tandem solar cells. Science Advances, 11 (38): [PMID:40961199] [10.1126/sciadv.adv4501] |
| 18. Chongjiong Zheng, Long Su, Jiayi Li, Liangdan Chen, Xiaorong Ding, Hui Gu, Fei Lu, Xinpei Gao. (2025) Durable Aqueous Zinc-Ion Batteries via Weak Solvation-Induced Anion-Derived Interphases. ACS Sustainable Chemistry & Engineering, [10.1021/acssuschemeng.5c06152] |
| 19. Ying Zhang, Jingjing Liu, Ling Yin, Chengyun Yan, Bingli Jiang, Yueyi Deng. (2025) Three indomethacin cocrystals: Preparation, characterization and formation thermodynamics. CHEMICAL ENGINEERING RESEARCH & DESIGN, [10.1016/j.cherd.2025.04.048] |
| 20. Kaiwei Wang, Fumin Wang, Xubin Zhang, Yi Zhai, Mingshuai Sun, Yan Chen, Jiaxing Zhang, Yihao Wang, Hongyu Wang, Yang Qin, Hao Ruan, Xuyang Zou. (2025) N-Containing Compound-Assisted Morphological Engineering of Anisotropic Growth of MFI Crystals. CRYSTAL GROWTH & DESIGN, [10.1021/acs.cgd.5c00376] |
| 21. Mengyu Guan, Ranran Bu, Haizhen Song, Changyuan Xu, Yichao Wang, Yan Zhang, Hongming Yin. (2025) Study on the effect of different crystal forms of benzamide on the luminescence properties of Mn2+ in organic-inorganic hybrid metal halides. CURRENT APPLIED PHYSICS, [10.1016/j.cap.2025.06.007] |
| 22. Shuaiqi He, Fang Yuan, Peichao Zhu, Xinwei Wang, Fawad Ali, Songting Zhang, Puyang Wu, Wen Deng, Zhaoxin Wu. (2026) Multifunctional synergy of polydentate ligands enables high-performance all-bromine sky-blue perovskite light-emitting diodes. CHEMICAL ENGINEERING JOURNAL, [10.1016/j.cej.2026.172867] |
溶液计算器
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