Cas no 6209-43-4 (2-{[(2E)-3-(1H-imidazol-5-yl)prop-2-enoyl]oxy}-N,N,N-trimethylethanaminium chloride)
![2-{[(2E)-3-(1H-imidazol-5-yl)prop-2-enoyl]oxy}-N,N,N-trimethylethanaminium chloride structure](https://ossimg.kuujia.com/scimg/6500/6209-43-4x500.png)
6209-43-4 structure
Product Name:2-{[(2E)-3-(1H-imidazol-5-yl)prop-2-enoyl]oxy}-N,N,N-trimethylethanaminium chloride
CAS No:6209-43-4
MF:C11H18ClN3O2
MW:259.732521533966
CID:1635522
PubChem ID:6450209
Update Time:2025-04-21
2-{[(2E)-3-(1H-imidazol-5-yl)prop-2-enoyl]oxy}-N,N,N-trimethylethanaminium chloride Chemical and Physical Properties
Names and Identifiers
-
- 2-{[(2E)-3-(1H-imidazol-5-yl)prop-2-enoyl]oxy}-N,N,N-trimethylethanaminium chloride
- 2-[(E)-3-(1H-imidazol-5-yl)prop-2-enoyl]oxyethyl-trimethylazanium,chloride
- Murexine
- MUREXINE CHLORIDE [MI]
- ETHANAMINIUM, 2-((3-(1H-IMIDAZOL-5-YL)-1-OXO-2-PROPEN-1-YL)OXY)-N,N,N-TRIMETHYL-, CHLORIDE (1:1)
- Q27258533
- Murexine chloride
- 42DIT09NOE
- UNII-42DIT09NOE
- 6209-43-4
- 2-((3-(1H-Imidazol-4-yl)-1-oxo-2-propenyl)oxy)-N,N,N-trimethylethanaminium chloride
- Ethanaminium, 2-((3-(1H-imidazol-4-yl)-1-oxo-2-propenyl)oxy)-N,N,N-trimethyl-, chloride
- CHOLINE CHLORIDE .BETA.-(4-IMIDAZOLYL)ACRYLATE
-
- Inchi： 1S/C11H17N3O2.ClH/c1-14(2,3)6-7-16-11(15)5-4-10-8-12-9-13-10;/h4-5,8-9H,6-7H2,1-3H3;1H
- InChI Key： OQOXQLPPFSCVCG-UHFFFAOYSA-N
- SMILES： [Cl-].O(C(/C=C/C1=CN=CN1)=O)CC[N+](C)(C)C
Computed Properties
- Exact Mass: 240.968
- Monoisotopic Mass: 259.1087545g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 258
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 55?2
Experimental Properties
- PSA: 52.08
2-{[(2E)-3-(1H-imidazol-5-yl)prop-2-enoyl]oxy}-N,N,N-trimethylethanaminium chloride Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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