Cas no 18249-94-0 (1H-Benzimidazole-1-methanamine(9CI))
18249-94-0 structure
Product Name:1H-Benzimidazole-1-methanamine(9CI)
CAS No:18249-94-0
MF:C8H9N3
MW:147.177160978317
CID:122865
PubChem ID:12677559
Update Time:2025-04-18
1H-Benzimidazole-1-methanamine(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-1-methanamine(9CI)
- benzimidazol-1-ylmethanamine
- SCHEMBL73224
- 1-(1H-Benzimidazol-1-yl)methanamine
- 18249-94-0
- (1H-Benzo[d]imidazol-1-yl)methanamine
- DTXSID10506568
- AKOS006360013
- N-aminomethylbenzimidazole
-
- Inchi： 1S/C8H9N3/c9-5-11-6-10-7-3-1-2-4-8(7)11/h1-4,6H,5,9H2
- InChI Key： YKVYGWIKNONFHL-UHFFFAOYSA-N
- SMILES： N1(C=NC2C=CC=CC1=2)CN
Computed Properties
- Exact Mass: 147.07977
- Monoisotopic Mass: 147.079647300g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 137
- 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: 0.5
- Topological Polar Surface Area: 43.8?2
Experimental Properties
- PSA: 43.84
1H-Benzimidazole-1-methanamine(9CI) Related Literature
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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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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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