Cas no 101236-96-8 (1H-Benzimidazole-2-methanamine,7-nitro-)
101236-96-8 structure
Product Name:1H-Benzimidazole-2-methanamine,7-nitro-
CAS No:101236-96-8
MF:C8H8N4O2
MW:192.17472076416
CID:124537
PubChem ID:14385917
Update Time:2025-04-18
1H-Benzimidazole-2-methanamine,7-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-2-methanamine,7-nitro-
- 1H-Benzimidazole-2-methanamine,4-nitro- (9CI)
- 4-nitro-2-(aminomethyl)-benzimidazole
- IRRBFIUVOWZDHT-UHFFFAOYSA-N
- 101236-96-8
- 1H-Benzimidazole-2-methanamine,4-nitro-(9CI)
- 4-nitro-1h-benzimidazole-2-methanamine
- SCHEMBL15228495
- (4-nitro-1H-benzimidazol-2-yl)methanamine
-
- Inchi： 1S/C8H8N4O2/c9-4-7-10-5-2-1-3-6(12(13)14)8(5)11-7/h1-3H,4,9H2,(H,10,11)
- InChI Key： IRRBFIUVOWZDHT-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CC=CC2=C1N=C(CN)N2)=O
Computed Properties
- Exact Mass: 192.06484
- Monoisotopic Mass: 192.06472551g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 230
- 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: 0.2
- Topological Polar Surface Area: 101?2
Experimental Properties
- PSA: 97.84
1H-Benzimidazole-2-methanamine,7-nitro- Related Literature
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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