Benzylamine, 2,4,6-trinitro-
Basic information
- CAS
73728-70-8- Standard SMILES
NCc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
JUKFDOUPBXLRHV-UHFFFAOYSA-N- Molecular formula
- C7H6N4O6
- Average molar mass
- 242.15 g/mol
- Monoisotopic mass
- 242.02873392
Names & identifiers
- Preferred name
- Benzylamine, 2,4,6-trinitro-
- IUPAC
- (2,4,6-trinitrophenyl)methanamine
Names & synonyms
2,4,6-TrinitrobenzylamineBENZYLAMINE, 2,4,6-TRINITRO-73728-70-8DTXSID00224047RefChem:328766DTXCID001465381-(2,4,6-trinitrophenyl)methanamineSCHEMBL28252618
Database identifiers
- CAS
73728-70-8- PubChem CID
- 52322
- DTXSID
DTXSID00224047- Nikkaji
- J78.938K
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 307
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Related reactions
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Compound notes
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