Cas no 64058-27-1 (Aziridinium,1-(2-chloroethyl)-1-(2-hydroxyethyl)-, chloride (1:1))
64058-27-1 structure
Product Name:Aziridinium,1-(2-chloroethyl)-1-(2-hydroxyethyl)-, chloride (1:1)
CAS No:64058-27-1
MF:C6H13Cl2NO
MW:186.079519987106
CID:503113
PubChem ID:47155
Update Time:2025-04-19
Aziridinium,1-(2-chloroethyl)-1-(2-hydroxyethyl)-, chloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Aziridinium,1-(2-chloroethyl)-1-(2-hydroxyethyl)-, chloride (1:1)
- 2-[1-(2-chloroethyl)aziridin-1-ium-1-yl]ethanol,chloride
- 1-(2-CHLOROETHYL)-1-(2-HYDROXYETHYL)AZIRIDIN-1-IUM CHLORIDE
- DTXSID20982490
- 1-(beta-Chloroethyl)-1-(beta-hydroxyethyl)ethylenimonium chloride
- 64058-27-1
- AZIRIDINIUM, 1-(2-CHLOROETHYL)-1-(2-HYDROXYETHYL)-, CHLORIDE
-
- Inchi： 1S/C6H13ClNO.ClH/c7-1-2-8(3-4-8)5-6-9;/h9H,1-6H2;1H/q+1;/p-1
- InChI Key： XARNEGDZAFKSAM-UHFFFAOYSA-M
- SMILES： ClCC[N+]1(CCO)CC1.[Cl-]
Computed Properties
- Exact Mass: 171.9358
- Monoisotopic Mass: 185.0374194g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 93.1
- 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: 20.2?2
Experimental Properties
- PSA: 19.9
Aziridinium,1-(2-chloroethyl)-1-(2-hydroxyethyl)-, chloride (1:1) Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
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