Butan-1-amine;1,3,5-trinitrobenzene
Basic information
- CAS
54635-87-9- Standard SMILES
CCCCN.O=[N+]([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1- InChIKey
OUKXMIFCPUZHGE-UHFFFAOYSA-N- Molecular formula
- C10H14N4O6
- Average molar mass
- 286.24 g/mol
- Monoisotopic mass
- 286.09133418
Names & identifiers
- Preferred name
- Butan-1-amine;1,3,5-trinitrobenzene
- IUPAC
- butan-1-amine;1,3,5-trinitrobenzene
Names & synonyms
54635-87-9DTXSID70788040Butan-1-amine--1,3,5-trinitrobenzene (1/1)
Database identifiers
- CAS
54635-87-9- PubChem CID
- 71364576
- DTXSID
DTXSID70788040
Properties
Computed structural properties
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 242
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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