Basic information
- CAS
115103-10-1- Standard SMILES
NCc1nc2ccc([N+](=O)[O-])cc2[nH]1- InChIKey
BRGDBWNIKSYHTD-UHFFFAOYSA-N- Molecular formula
- C8H8N4O2
- Average molar mass
- 192.17 g/mol
- Monoisotopic mass
- 192.06472551
Names & identifiers
- Preferred name
- (5-nitro-1H-1,3-benzodiazol-2-yl)methanamine
- IUPAC
- (6-nitro-1H-benzimidazol-2-yl)methanamine
- English name
- 1H-Benzimidazole-2-methanamine,5-nitro-(9CI)
- Molecular formula
- C8H8N4O2
- Molecular weight
- 192.17
Names & synonyms
115103-10-1(5-nitro-1H-1,3-benzodiazol-2-yl)methanamine(5-Nitro-1H-benzo[d]imidazol-2-yl)methanamine1H-Benzimidazole-2-methanamine,5-nitro-(9CI)(6-nitro-1H-benzimidazol-2-yl)methanamineSCHEMBL16061454QEA10310MFCD09038193AKOS026417826SY162393EN300-174689(6-Nitro-1H-benzo[d]imidazol-2-yl)methanamine
Show more names
1H-Benzimidazole-2-methanamine, 6-nitro-
1-(6-nitro-1H-1,3-benzodiazol-2-yl)methanamineZ1889902443
Database identifiers
- CAS
115103-10-1- PubChem CID
- 30159791
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Boiling point
- 486.7 · 486.7±25.0 °C(Predicted)
- Density
- 1.514 · 1.514±0.06 g/cm3(Predicted)
- pka
- 11.81 · 11.81±0.29(Predicted)
Chemistry & industry
Suppliers2 total
CHEMSTEP[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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