Basic information
- CAS
34129-07-2- Standard SMILES
CCN(CC1CCCO1)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]- InChIKey
MONYWWWQBHZMIZ-UHFFFAOYSA-N- Molecular formula
- C14H16F3N3O5
- Average molar mass
- 363.29 g/mol
- Monoisotopic mass
- 363.10420511
Names & identifiers
- Preferred name
- N-Ethyltetrahydro-N-(alpha,alpha,alpha-trifluoro-2,6-dinitro-p-tolyl)furfurylamine
- IUPAC
- N-ethyl-2,6-dinitro-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)aniline
Names & synonyms
34129-07-2N-Ethyltetrahydro-N-(alpha,alpha,alpha-trifluoro-2,6-dinitro-p-tolyl)furfurylamineGS 38946DTXSID20955664MONYWWWQBHZMIZ-UHFFFAOYSA-NN-Ethyl-2,6-dinitro-N-[(oxolan-2-yl)methyl]-4-(trifluoromethyl)anilineFurfurylamine, N-ethyltetrahydro-N-(alpha,alpha,alpha-trifluoro-2,6-dinitro-p-tolyl)-2-Furanmethanamine, N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-ethyltetrahydro-
Database identifiers
- CAS
34129-07-2- PubChem CID
- 36683
- DTXSID
DTXSID20955664- Nikkaji
- J1.617.298G
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 470
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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