Basic information
- CAS
61164-68-9- Standard SMILES
CCCCNc1nc2ccccc2[nH]1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
JHZFNUGEZQEWPM-UHFFFAOYSA-N- Molecular formula
- C17H18N6O7
- Average molar mass
- 418.4 g/mol
- Monoisotopic mass
- 418.12369693
Names & identifiers
- Preferred name
- N-butyl-1H-benzimidazol-2-amine;2,4,6-trinitrophenol
- IUPAC
- N-butyl-1H-benzimidazol-2-amine;2,4,6-trinitrophenol
Names & synonyms
61164-68-9DTXSID104801772,4,6-Trinitrophenol--N-butyl-1H-1,3-benzimidazol-2-amine (1/1)
Database identifiers
- CAS
61164-68-9- PubChem CID
- 12200745
- DTXSID
DTXSID10480177
Properties
Computed structural properties
- Topological polar surface area
- 198 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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