Cas no 1936-37-4 (2-chloro-N-(2-chloroethyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine hydrochloride (1:1))
1936-37-4 structure
Product Name:2-chloro-N-(2-chloroethyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine hydrochloride (1:1)
CAS No:1936-37-4
MF:C8H13Cl3N2S
MW:275.626217603683
CID:1386195
PubChem ID:121224
Update Time:2025-04-20
2-chloro-N-(2-chloroethyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 2-chloro-N-(2-chloroethyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine hydrochloride (1:1)
- Thiazole, 4-((bis(2-chloroethyl)amino)methyl)-, hydrochloride
- 4-((Bis(2-chloroethyl)amino)methyl)thiazole hydrochloride
- 4-Di-(beta-chloroethyl)aminomethylthiazole hydrochloride
- DTXSID80941043
- 2-Chloro-N-(2-chloroethyl)-N-[(1,3-thiazol-4-yl)methyl]ethan-1-amine--hydrogen chloride (1/1)
- 1936-37-4
-
- Inchi： 1S/C8H12Cl2N2S.ClH/c9-1-3-12(4-2-10)5-8-6-13-7-11-8;/h6-7H,1-5H2;1H
- InChI Key： YPMLBQWRUHTBQY-UHFFFAOYSA-N
- SMILES： ClCCN(CCCl)CC1=CSC=N1.Cl
Computed Properties
- Exact Mass: 273.98679
- Monoisotopic Mass: 273.987
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 131
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 44.4?2
Experimental Properties
- Boiling Point: 258.7°C at 760 mmHg
- Flash Point: 110.2°C
- PSA: 16.13
2-chloro-N-(2-chloroethyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine hydrochloride (1:1) Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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