Basic information
- CAS
1613-32-7- Standard SMILES
CCCc1ccc2ccccc2n1- InChIKey
IZXJPGLOYYDHRM-UHFFFAOYSA-N- Molecular formula
- C12H13N
- Average molar mass
- 171.24 g/mol
- Monoisotopic mass
- 171.10479942
Overview
2-Propylquinoline has been reported in Angostura bracteata with data available.
Names & identifiers
- Preferred name
- 2-Propylquinoline
- IUPAC
- 2-propylquinoline
- English name
- 2-propylquinoline
- Molecular formula
- C12H13N
- Molecular weight
- 171.24
Names & synonyms
2-Propylquinoline1613-32-7DTXSID801671052nPQ cpdRefChem:89330DTXCID7089596QUINOLINE, 2-PROPYL-2-n-propylquinoline2-Propyl-quinolineSCHEMBL177539SCHEMBL177540SCHEMBL725176
Show more names
CHEMBL354607SCHEMBL9287417SCHEMBL9870736SCHEMBL29089912AKOS006370675NS00115967
Database identifiers
- CAS
1613-32-7- PubChem CID
- 74166
- DTXSID
DTXSID80167105- ChEMBL
CHEMBL354607- Nikkaji
- J113.576G
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
- Melting point
- 68.75 °C · 68.75°C (estimate)
- Boiling point
- 286.23 °C · 286.23°C (estimate)
- Density
- 1.038 · 1.0380
- refractive index
- 1.5886 · 1.5886
- pka
- 5.91 · 5.91±0.40(Predicted)
Chemistry & industry
Pharmacology
Metabolism/Metabolites2-propylquinoline has known human metabolites that include 5-propyl-1a,7b-dihydrooxireno[2,3-f]quinoline, 2-Quinolinemethanol, alpha-ethyl-, 6-propyl-1a,7b-dihydrooxireno[2,3-h]quinoline, and 3-(Quinolin-2-yl)propan-1-ol.
Suppliers2 total
郑州药领医药科技有限公司13526569071 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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