6,7-Difluoroquinolin-4-amine
Basic information
- CAS
288371-41-5- Standard SMILES
Nc1ccnc2cc(F)c(F)cc12- InChIKey
KVQBDQMQAVWQBW-UHFFFAOYSA-N- Molecular formula
- C9H6F2N2
- Average molar mass
- 180.15 g/mol
- Monoisotopic mass
- 180.04990452
Names & identifiers
- Preferred name
- 6,7-Difluoroquinolin-4-amine
- IUPAC
- 6,7-difluoroquinolin-4-amine
- English name
- 4-Amino-6,7-difluoroquinoline
- Molecular formula
- C9H6F2N2
- Molecular weight
- 180.15
Names & synonyms
6,7-difluoroquinolin-4-amine1247789-93-04-AMINO-6,7-DIFLUOROQUINOLINEDTXSID20692966AKOS011471144SB680576,8-difluoroquinolin-4-amine4-Quinolinamine, 6,8-difluoro-6,8-Difluoro-quinolin-4-ylamine
Database identifiers
- CAS
288371-41-5- PubChem CID
- 53249484
- DTXSID
DTXSID20692966
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Boiling point
- 330.616 · 330.616±37.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.413 · 1.413±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.782 · 7.782±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…