Cas no 54139-59-2 (2-[bis(2-chloroethyl)amino]-N,N-dimethylethanesulfonamide hydrochloride (1:1))
![2-[bis(2-chloroethyl)amino]-N,N-dimethylethanesulfonamide hydrochloride (1:1) structure](https://ossimg.kuujia.com/scimg/54500/54139-59-2x500.png)
54139-59-2 structure
Product Name:2-[bis(2-chloroethyl)amino]-N,N-dimethylethanesulfonamide hydrochloride (1:1)
CAS No:54139-59-2
MF:C8H19Cl3N2O2S
MW:313.672658205032
CID:1589767
PubChem ID:150261
Update Time:2025-04-21
2-[bis(2-chloroethyl)amino]-N,N-dimethylethanesulfonamide hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
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- 2-[bis(2-chloroethyl)amino]-N,N-dimethylethanesulfonamide hydrochloride (1:1)
- 2-(Bis(2-chloroethyl)amino)-N,N-dimethylethanesulfonamide monohydrochloride
- Ethanesulfonamide, 2-(bis(2-chloroethyl)amino)-N,N-dimethyl-, monohydrochloride
- 2-[bis(2-chloroethyl)amino]-N,N-dimethylethanesulfonamide,hydrochloride
- 54139-59-2
- DTXSID40202485
-
- Inchi： 1S/C8H18Cl2N2O2S.ClH/c1-11(2)15(13,14)8-7-12(5-3-9)6-4-10;/h3-8H2,1-2H3;1H
- InChI Key： AUMQSQZDYJAVBN-UHFFFAOYSA-N
- SMILES： ClCCN(CCCl)CCS(N(C)C)(=O)=O.Cl
Computed Properties
- Exact Mass: 312.02357
- Monoisotopic Mass: 312.023282g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 8
- Complexity: 246
- 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: 49?2
Experimental Properties
- PSA: 40.62
2-[bis(2-chloroethyl)amino]-N,N-dimethylethanesulfonamide hydrochloride (1:1) Related Literature
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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