Cas no 57-54-5 (Aziridinium,1-(2-chloroethyl)-1-methyl-)
57-54-5 structure
Product Name:Aziridinium,1-(2-chloroethyl)-1-methyl-
Aziridinium,1-(2-chloroethyl)-1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Aziridinium,1-(2-chloroethyl)-1-methyl-
- 1-(2-chloroethyl)-1-methylaziridin-1-ium
- N-2-Chloroethyl-N-methylaziridinium
- SCHEMBL9974633
- DTXSID90205603
- Chlorimine mustard
- 1-Methyl-1-(beta-chloroethyl)ethylenimonium
- 1-(2-Chloroethyl)-1-methylaziridinium
- BRN 3535924
- 57-54-5
- N-(2-Chloroethyl)-N-methylaziridinium ion
- AZIRIDINIUM, 1-(2-CHLOROETHYL)-1-METHYL-
-
- Inchi： 1S/C5H11ClN/c1-7(3-2-6)4-5-7/h2-5H2,1H3/q+1
- InChI Key： LWMDBBLXXQCZLB-UHFFFAOYSA-N
- SMILES： ClCC[N+]1(C)CC1
Computed Properties
- Exact Mass: 155.027
- Monoisotopic Mass: 155.027
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 68.5
- 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
- XLogP3: 0.6
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 1.0166 (rough estimate)
- Boiling Point: 189.09°C (rough estimate)
- Refractive Index: 1.5304 (estimate)
Aziridinium,1-(2-chloroethyl)-1-methyl- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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