Basic information
- CAS
34128-99-9- Standard SMILES
CCCN(CC1CCCO1)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]- InChIKey
MQEMYPOTBGAMLP-UHFFFAOYSA-N- Molecular formula
- C15H18F3N3O5
- Average molar mass
- 377.32 g/mol
- Monoisotopic mass
- 377.11985517
Names & identifiers
- Preferred name
- 2,6-dinitro-N-(oxolan-2-ylmethyl)-N-propyl-4-(trifluoromethyl)aniline
- IUPAC
- 2,6-dinitro-N-(oxolan-2-ylmethyl)-N-propyl-4-(trifluoromethyl)aniline
Names & synonyms
34128-99-92,6-dinitro-N-(oxolan-2-ylmethyl)-N-propyl-4-(trifluoromethyl)anilineGS 39985DTXSID60955663MQEMYPOTBGAMLP-UHFFFAOYSA-N2,6-Dinitro-N-[(oxolan-2-yl)methyl]-N-propyl-4-(trifluoromethyl)aniline2-Furanmethanamine, N-[2,6-dinitro-4-(trifluoromethyl)phenyl]tetrahydro-N-propyl-
Database identifiers
- CAS
34128-99-9- PubChem CID
- 36682
- DTXSID
DTXSID60955663- Nikkaji
- J1.617.295B
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 484
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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