7-Propylquinoline
Basic information
- CAS
7661-59-8- Standard SMILES
CCCc1ccc2cccnc2c1- InChIKey
COTJHRWDWDQJRQ-UHFFFAOYSA-N- Molecular formula
- C12H13N
- Average molar mass
- 171.24 g/mol
- Monoisotopic mass
- 171.10479942
Names & identifiers
- Preferred name
- 7-Propylquinoline
- IUPAC
- 7-propylquinoline
- English name
- 7-Propylquinoline
- Molecular formula
- C12H13N
- Molecular weight
- 171.24
Names & synonyms
7-Propylquinoline7661-59-8Quinoline, 7-propyl-7-Propylquinoline #SCHEMBL3947560SCHEMBL5544956SCHEMBL6114416DTXSID30343250COTJHRWDWDQJRQ-UHFFFAOYSA-N
Database identifiers
- CAS
7661-59-8- PubChem CID
- 588472
- DTXSID
DTXSID30343250- Nikkaji
- J113.582A
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Boiling point
- 145 · 145-147 °C(Press: 7 Torr)
- Density
- 1.03 · 1.030±0.06 g/cm3(Predicted)
- pka
- 5.44 · 5.44±0.14(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…