N,N-dibutylbutan-1-amine;2,4,6-trinitrophenol
Basic information
- CAS
2609-50-9- Standard SMILES
CCCCN(CCCC)CCCC.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
FLLPYKVTUSJDSI-UHFFFAOYSA-N- Molecular formula
- C18H30N4O7
- Average molar mass
- 414.5 g/mol
- Monoisotopic mass
- 414.21144931
Names & identifiers
- Preferred name
- N,N-dibutylbutan-1-amine;2,4,6-trinitrophenol
- IUPAC
- N,N-dibutylbutan-1-amine;2,4,6-trinitrophenol
Names & synonyms
2609-50-9NSC136973DTXSID10948964NSC-136973DS-0020652,4,6-Trinitrophenol--N,N-dibutylbutan-1-amine (1/1)
Database identifiers
- CAS
2609-50-9- PubChem CID
- 282875
- DTXSID
DTXSID10948964
Properties
Computed structural properties
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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