Cas no 6339-06-6 ( )
structure
Product Name:
CAS No:6339-06-6
MF:C5H9ClN4O2
MW:192.6035592556
CID:960066
PubChem ID:412215
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- [1-(2-Chlor-aethyl)-4,5-dihydro-1H-imidazol-2-yl]-nitro-amin; SureCN10573900; NSC38183; 1-(2-Chlor-ethyl)-2-nitramino-2-imidazolin; [1-(2-chloro-ethyl)-4,5-dihydro-1H-imidazol-2-yl]-nitro-amine; SureCN10573894; AC1L930K;
- NSC-38183
- NSC38183
- N-[1-(2-Chloroethyl)-4,5-dihydro-1H-imidazol-2-yl]nitramide
- DTXSID70328586
- 6339-06-6
-
-
- Inchi： 1S/C5H9ClN4O2/c6-1-3-9-4-2-7-5(9)8-10(11)12/h1-4H2,(H,7,8)
- InChI Key： UZVSHCNZHUESBZ-UHFFFAOYSA-N
- SMILES： ClCCN1C(N[N+](=O)[O-])=NCC1
Computed Properties
- Exact Mass: 193.0494
- Monoisotopic Mass: 192.041
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 202
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0
- Topological Polar Surface Area: 73.4?2
Experimental Properties
- PSA: 67.94
Related Literature
-
Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
-
Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
-
Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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