Cas no 34594-86-0 (1H-Benzimidazol-5-amine,N,1-dimethyl-)
34594-86-0 structure
Product Name:1H-Benzimidazol-5-amine,N,1-dimethyl-
CAS No:34594-86-0
MF:C9H11N3
MW:161.203741312027
CID:294991
Update Time:2024-01-27
1H-Benzimidazol-5-amine,N,1-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazol-5-amine,N,1-dimethyl-
- 1H-Benzimidazol-5-amine,N,1-dimethyl-(9CI)
-
- Inchi： 1S/C9H11N3/c1-10-7-3-4-9-8(5-7)11-6-12(9)2/h3-6,10H,1-2H3
- InChI Key： VCDJWTMHPWNEQI-UHFFFAOYSA-N
- SMILES： C1N(C)C2=CC=C(NC)C=C2N=1
Computed Properties
- Exact Mass: 161.09543
- Monoisotopic Mass: 161.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 160
- 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: 29.8A^2
Experimental Properties
- PSA: 29.85
1H-Benzimidazol-5-amine,N,1-dimethyl- Related Literature
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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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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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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