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 16 篇同行评审文献引用。
概述
微溶于水。易溶于乙醇、乙醚、丙酮和三氯甲烷。与Ni2+、Pd2+、Co2+和ReO 等形成淡黄或橙色配合物，易为三氯甲烷萃取。
2,3-Butanedione monoxime has been used: · in single-molecule myosin V motility assays · as an anesthetic in the approach of imaging transgenic animals · to reduce rigor tension in muscle fibres · as a media component for mice cardiomyocytes culture
规格
别名
2,3-丁二酮一肟 | 联乙酰一肟
英文别名
BDM | biacetylmonooxime | NSC 116103 | Q63392903 | SDCCGSBI-0050078.P002 | 3-Butenoic acid, 97% | NCGC00024887-03 | 2, 3-butanedione monooxime | CCRIS 6215 | EN300-103351 | s3699 | UNII-19SQ93LM6H | UNII-S327O0T12O | 6-Ethyl-ortho-toluidine | BDBM50024959
规格或纯度
10mM in DMSO
英文名称
Diacetylmonoxime
生化机理
非选择性肌球蛋白ATPase抑制剂（肌球蛋白II时，K i = 5 mM）。强大的Kv2.1（DRK1）和L型Ca 2+通道抑制剂（K i和IC 50值分别为10.7 nM和5.8 mM）。血脑屏障通透。抑制肌肉收缩。
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
200-348-5
分子类型
小分子
IUPAC Name
(3E)-3-hydroxyiminobutan-2-one
INCHI
1S/C4H7NO2/c1-3(5-7)4(2)6/h7H,1-2H3/b5-3+
InChi Key
FSEUPUDHEBLWJY-HWKANZROSA-N
Smiles
CC(=NO)C(=O)C
Isomeric SMILES
C/C(=N\O)/C(=O)C
分子量
101.1
Beilstein号
605582
Reaxy-Rn
605582
Reaxys-RN link address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605582&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) | 有机氮化合物 |
| 类（Class) | 有机氮化合物 |
| 亚类（Subclass） | 肟类 |
| 中间层级节点（Intermediate Tree Nodes） | 暂无 |
| 直接上位类(Direct Parent) | 酮肟类 |
| 其他上位类（Alternative Parents） | 酮类 有机光子化合物 有机氧化物 碳氢化合物衍生物 |
| 分子骨架（Molecular Framework) | 脂肪族无环化合物 |
| 取代基（Substituents） | 脂肪族非环化合物 - 羰基 - 烃衍生物 - 酮 - 酮肟 - 有机氧化物 - 有机氧化合物 - 有机氧化合物 - 有机氮化合物 |
| 描述（Description） | 该化合物属于酮肟类有机化合物。这类化合物具有通式RC(R')=NOH（R,R'=有机酰基）。 |
| 外部描述符（External Descriptors） | ketoxime |
三维结构
交互式化学结构模型
关联靶点（人）
ACHE
Tclin
Acetylcholinesterase
(18204 活性数据)
THRB
Tclin
Thyroid hormone receptor beta-1
(7926 活性数据)
ARSA
Tbio
Cerebroside-sulfatase
(655 活性数据)
PIN1
Tchem
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(36611 活性数据)
EHMT2
Tchem
Histone-lysine N-methyltransferase, H3 lysine-9 specific 3
(93046 活性数据)
BLM
Tchem
Bloom syndrome protein
(4248 活性数据)
PMP22
Tbio
Peripheral myelin protein 22
(699 活性数据)
关联靶点（其它种属）
Saccharomyces cerevisiae (19171 活性数据)
GCN5
Histone acetyltransferase GCN5 (89 活性数据)
Npsr1
Neuropeptide S receptor (260 活性数据)
Txnrd1
Thioredoxin reductase 1, cytoplasmic (45279 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
沸点
185-186°C
熔点
76°C
分子量
101.100 g/mol
XLogP3
0.400
氢键供体数Hydrogen Bond Donor Count
1
氢键受体数Hydrogen Bond Acceptor Count
3
可旋转键计数Rotatable Bond Count
1
精确质量Exact Mass
101.048 Da
单同位素质量Monoisotopic Mass
101.048 Da
拓扑极表面积Topological Polar Surface Area
49.700 Ų
重原子数Heavy Atom Count
7
形式电荷Formal Charge
0
复杂度Complexity
106.000
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
1
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
1
共价键合单元计数Covalently-Bonded Unit Count
1
安全和危险性（GHS）
象形图
信号词
警告
危险声明
H302: 吞食有害
H312: 皮肤接触有害
H315: 引起皮肤刺激
H319: 引起严重眼睛刺激
H332: 吸入有害
H335: 可能引起呼吸道刺激
预防措施声明
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。
P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。
P321: 特殊处理（请参阅此标签上的...）。
P330: 漱口
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。
P305+P351+P338: 如进入眼睛：用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出，取出隐形眼镜。继续冲洗。
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+P317: 如果被吞咽：请寻求医疗帮助。
P317: 寻求紧急医疗救助。
P337+P317: 如果眼睛刺激持续：寻求医疗帮助。
P332+P317: 如果出现皮肤刺激：请寻求医疗帮助。
P319: 如果你感到不适，请寻求医疗帮助。
WGK Germany
3
RTECS
EK3150000
个人防护装备
Eyeshields,Gloves,type N95 (US),type P1 (EN143) respirator filter
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. Shilong Jiang, Song Cheng, Jiashun Cao, Cailiang Yue, Jianglei Xiong, Cong Jiang, Hongzhan Cai, Jianhua Wu. (2023) Monodispersed Co-N3 loaded carbon nitride mediated peroxymonosulfate activation for rapid degradation of trace urea via singlet oxygen. CHEMICAL ENGINEERING JOURNAL, [10.1016/j.cej.2023.147526] |
| 2. Yanli He, Shuguang Shen, Ying Wang, Chenyuan Guo, Yaping Yuan, Yaru Fan, Lili Zhang, Yuyan Song. (2023) Simple and efficient strategy for α-MnO2/C by in-situ synthesis and its performance for degrading urea process wastewater. Journal of Environmental Chemical Engineering, [10.1016/j.jece.2023.110303] |
| 3. Yaping Yuan, Jing Li, Chenyuan Guo, Lili Zhang, Yuyan Song, Yanli He, Yankun Luo, Shuguang Shen. (2023) An ultralight aerogel-type urea absorbent for the development of a wearable artificial kidney. NEW JOURNAL OF CHEMISTRY, 47 (15): (7101-7110). [10.1039/D3NJ00432E] |
| 4. Yanmei Huang, Yuting Wang, Yang Liu, Aijing Ma, Jianzhou Gui, Chaoxin Zhang, Yifu Yu, Bin Zhang. (2022) Unveiling the quantification minefield in electrocatalytic urea synthesis. CHEMICAL ENGINEERING JOURNAL, [10.1016/j.cej.2022.139836] |
| 5. Chenyuan Guo, Shuguang Shen, Meina Li, Ying Wang, Jing Li, Yuanquan Xing, Cui Wang, Huajie Pan. (2020) Rapid in situ synthesis of MgAl-LDH on η-Al2O3 for efficient hydrolysis of urea in wastewater. JOURNAL OF CATALYSIS, [10.1016/j.jcat.2020.12.024] |
| 6. Wang Ying, Shen Shuguang, Li Meina, Sun Yujuan, Li Binbin. (2018) In Situ Growth of Highly Active MgAl Layered Double Hydroxide on η-Al2O3 for Catalytic Hydrolysis of Urea in Wastewater. CATALYSIS LETTERS, 148 (7): (1893-1903). [10.1007/s10562-018-2387-3] |
| 7. Shen Shuguang, Li Meina, Li Binbin, Zhao Zhijun. (2014) Catalytic hydrolysis of urea from wastewater using different aluminas by a fixed bed reactor. ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH, 21 (21): (12563-12568). [PMID:24952253] [10.1007/s11356-014-3189-9] |
| 8. Huang Da-Shuai, Qiu Xiao-Feng, Huang Jia-Run, Mao Min, Liu Lingmei, Han Yu, Zhao Zhen-Hua, Liao Pei-Qin, Chen Xiao-Ming. (2024) Electrosynthesis of urea by using Fe2O3 nanoparticles encapsulated in a conductive metal–organic framework. Nature Synthesis, [10.1038/s44160-024-00603-8] |
| 9. Yichun Lou, Haoyu Chen, Linrui Wang, Shengpeng Chen, Yameng Song, Yifei Ding, Zixiang Hao, Chengli He, Dong Qiu, Hui Li, Junjian Wang, Duanyang Liu, Xiaoli Cui. (2025) Mechanochemical Urea Synthesis Using Ammonia–Water and Carbon Dioxide Under Mild Conditions: An Experimental and Theoretical Study. ACS Sustainable Chemistry & Engineering, [10.1021/acssuschemeng.4c05811] |
| 10. Lingjia Ma, Jiongliang Yuan, Zhaotao Liu, Yiqing Luo, Yuning Su, Kunye Zhu, Zefeng Feng, Huihua Niu, Shuaishuai Xiao, Jianjun Wei, Xu Xiang. (2024) Mesoporous Electrocatalysts with p–n Heterojunctions for Efficient Electroreduction of CO2 and N2 to Urea. ACS Applied Materials & Interfaces, [PMID:38721726] [10.1021/acsami.4c00257] |
| 11. Wang Ling, Lou Qing, Qian Haixia, Yin Xiaoshuang, Liu Ying, Yang Wenzhong, Xu Hui. (2025) ZnCdS-BiFeO3 heterojunction loaded with cobalt catalyst boosting photoelectrocatalytic hydrogen evolution. Science China-Materials, [10.1007/s40843-024-3215-2] |
| 12. Yuhou Pei, Di Li, Yufeng Pei, Zongmiao Li, Yuting Liu, Xiang Ling, Yingying Lu, Bing Zhang. (2025) Tailoring the triple-phase microenvironment for kinetically matched C-N coupling in urea electrosynthesis. APPLIED CATALYSIS B-ENVIRONMENTAL, [10.1016/j.apcatb.2025.125939] |
| 13. Xue Wang, Lu-Kang Zhao, Si-Yao Li, Ran Wei, Xuanwen Gao, Zhaomeng Liu, Wenbin Luo. (2025) Co-reduction Coupling of Bicarbonate and Nitrate toward Efficient Urea Synthesis. Nanoscale, [PMID:40104997] [10.1039/D4NR05196C] |
| 14. Yuan Li, Ji-Hao Hao, Pei Yu, Dao-Tong Deng, Xiang Di, Chun-Gang Yuan. (2026) Crosslinked Amyloid Fibril Aerogels for Selective Separation and Recycling of Organic Contaminants. Surfaces and Interfaces, [10.1016/j.surfin.2026.108590] |
| 15. Guoning Chen, Jianbing Chen, Sanshuang Gao, Jun Li, Bohao Chang, Xuguang An, Linfeng Xiao, Hao Cheng, Guangzhi Hu, Yujie Ma. (2026) Coupling urea production and energy output in Zn-nitrate/carbon dioxide batteries enabled by porous copper‑nickel bimetallic catalysts. JOURNAL OF COLLOID AND INTERFACE SCIENCE, [PMID:41643622] [10.1016/j.jcis.2026.139991] |
| 16. Xiao-Hui Wang, Yue-Han Qin, Xue Xiao, Yu Chen, Shu-Ni Li. (2026) Stabilizing Cu+ species and enriching reaction intermediates via histidine interface engineering for urea electrocatalysis. APPLIED CATALYSIS B-ENVIRONMENTAL, [10.1016/j.apcatb.2026.127220] |
溶液计算器
产品仅提供给经过验证的企业、机构和合格的专业人员用于研发。不适用于人类、动物、诊断或治疗。
Copyright © 2023至今 上海阿拉丁生化科技股份有限公司 保留所有权利。
危险品化学品经营许可证（带存储）