Cas no 16242-48-1 (1H-Benzimidazol-7-amine,1-(2-chloroethyl)-)
16242-48-1 structure
Product Name:1H-Benzimidazol-7-amine,1-(2-chloroethyl)-
CAS No:16242-48-1
MF:C9H10ClN3
MW:195.648800373077
CID:121520
PubChem ID:45078580
Update Time:2025-04-18
1H-Benzimidazol-7-amine,1-(2-chloroethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazol-7-amine,1-(2-chloroethyl)-
- Benzimidazole,7-amino-1-(2-chloroethyl)-(8CI)
- 1-(2-chloroethyl)-1H-benzo[d]imidazol-7-amine
- 16242-48-1
-
- Inchi： 1S/C9H10ClN3/c10-4-5-13-6-12-8-3-1-2-7(11)9(8)13/h1-3,6H,4-5,11H2
- InChI Key： SXTQVIYYTQCEIR-UHFFFAOYSA-N
- SMILES： ClCCN1C=NC2C=CC=C(C1=2)N
Computed Properties
- Exact Mass: 195.0565
- Monoisotopic Mass: 195.056
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 176
- 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
- Topological Polar Surface Area: 43.8A^2
- XLogP3: 1.3
Experimental Properties
- PSA: 43.84
1H-Benzimidazol-7-amine,1-(2-chloroethyl)- Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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