Cas no 67468-93-3 (1H-Benzimidazol-2-amine,4,7-dimethyl-)
67468-93-3 structure
Product Name:1H-Benzimidazol-2-amine,4,7-dimethyl-
CAS No:67468-93-3
MF:C9H11N3
MW:161.203741312027
CID:502867
PubChem ID:19017772
Update Time:2025-04-19
1H-Benzimidazol-2-amine,4,7-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazol-2-amine,4,7-dimethyl-
- 1H-Benzimidazol-2-amine,4,7-dimethyl-(9CI)
- 4,7-dimethyl-1H-Benzimidazol-2-amine
- 1H-BENZIMIDAZOL-2-AMINE,4,7-DIMETHYL
- 2-Amino-4,7-dimethylbenzimidazol
- 2-amino-4,7-dimethylbenzimidazole
- 4,7-dimethyl-1H-benzoimidazol-2-ylamine
- 4,7-dimethyl-2-aminobenzimidazole
- SCHEMBL5924180
- FT-0704696
- 67468-93-3
-
- Inchi： 1S/C9H11N3/c1-5-3-4-6(2)8-7(5)11-9(10)12-8/h3-4H,1-2H3,(H3,10,11,12)
- InChI Key： ZSAWWJYNDFERFN-UHFFFAOYSA-N
- SMILES： N1C(N)=NC2C(C)=CC=C(C)C1=2
Computed Properties
- Exact Mass: 161.09500
- Monoisotopic Mass: 161.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 171
- 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: 54.7A^2
- XLogP3: 1.9
Experimental Properties
- PSA: 54.70000
- LogP: 2.34310
1H-Benzimidazol-2-amine,4,7-dimethyl- Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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