Basic information
- CAS
72766-35-9- Standard SMILES
CN(C)c1c([N+](=O)[O-])cc2[nH]cnc2c1[N+](=O)[O-]- InChIKey
CRCPWCFFFGGIRM-UHFFFAOYSA-N- Molecular formula
- C9H9N5O4
- Average molar mass
- 251.2 g/mol
- Monoisotopic mass
- 251.06545379
Names & identifiers
- Preferred name
- 1H-Benzimidazol-5-amine, N,N-dimethyl-4,6-dinitro-
- IUPAC
- N,N-dimethyl-4,6-dinitro-1H-benzimidazol-5-amine
Names & synonyms
1H-Benzimidazol-5-amine, N,N-dimethyl-4,6-dinitro-BRN 0927380N,N-Dimethyl-4,6-dinitro-1H-benzimidazol-5-amine72766-35-9DTXSID00223095NSC 291085RefChem:237455DTXCID00145586NSC291085NSC-291085N,N-Dimethyl-4,6-dinitro-1H-1,3-benzimidazol-5-amine
Database identifiers
- CAS
72766-35-9- PubChem CID
- 100356
- DTXSID
DTXSID00223095
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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