Cas no 64058-25-9 (Aziridinium,1,1-bis(2-chloroethyl)-, chloride (1:1))
64058-25-9 structure
Product Name:Aziridinium,1,1-bis(2-chloroethyl)-, chloride (1:1)
CAS No:64058-25-9
MF:C6H12Cl3N
MW:204.525178909302
CID:503151
PubChem ID:47151
Update Time:2025-04-19
Aziridinium,1,1-bis(2-chloroethyl)-, chloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Aziridinium,1,1-bis(2-chloroethyl)-, chloride (1:1)
- 1,1-bis(2-chloroethyl)aziridin-1-ium,chloride
- 1,1-bis(2-chloroethyl)aziridin-1-ium chloride
- 64058-25-9
- DTXSID50982488
- N,N-bis(2-chloroethyl)aziridinium chloride
- AZIRIDINIUM, 1,1-BIS(2-CHLOROETHYL)-, CHLORIDE
- 1,1-Bis(beta-chloroethyl)ethylenimonium chloride
-
- Inchi： 1S/C6H12Cl2N.ClH/c7-1-3-9(4-2-8)5-6-9;/h1-6H2;1H/q+1;/p-1
- InChI Key： QXUVQYGBGHNLCJ-UHFFFAOYSA-M
- SMILES： ClCC[N+]1(CCCl)CC1.[Cl-]
Computed Properties
- Exact Mass: 190.9098
- Monoisotopic Mass: 203.004
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 83.1
- 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: 0A^2
Experimental Properties
- PSA: 0
Aziridinium,1,1-bis(2-chloroethyl)-, chloride (1:1) Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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