Benzenamine, N-(1-ethylpropyl)-2,6-dinitro-4-(trifluoromethyl)-
Basic information
- CAS
5973-53-5- Standard SMILES
CCC(CC)Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]- InChIKey
UASSGOXNPFOKPH-UHFFFAOYSA-N- Molecular formula
- C12H14F3N3O4
- Average molar mass
- 321.25 g/mol
- Monoisotopic mass
- 321.09364042
Names & identifiers
- Preferred name
- Benzenamine, N-(1-ethylpropyl)-2,6-dinitro-4-(trifluoromethyl)-
- IUPAC
- 2,6-dinitro-N-pentan-3-yl-4-(trifluoromethyl)aniline
Names & synonyms
Benzenamine, N-(1-ethylpropyl)-2,6-dinitro-4-(trifluoromethyl)-5973-53-5SCHEMBL11204272DTXSID30333050UASSGOXNPFOKPH-UHFFFAOYSA-N(Dinitro-trifluoromethyl-phenyl)-(1-ethyl-propyl)-amineN-(1-ethylpropyl)-2,6-dinitro-4-(trifluoromethyl)aniline2,6-DINITRO-N-(PENTAN-3-YL)-4-(TRIFLUOROMETHYL)ANILINE
Database identifiers
- CAS
5973-53-5- PubChem CID
- 478798
- DTXSID
DTXSID30333050
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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