Quinoline
Properties
- Molecular formula
- C9H7N
- Molar mass
- 129.16 g/mol
- Exact mass
- 129.0578 Da
- Density
- 1.09 g/mL (at 25 °C)
- Melting point
- −14.78 °C
- Boiling point
- 237.7 °C
- pKa
- 4.9
- Flash point
- 99 °C (closed cup)
- Water solubility
- 6.11 g/L
- logP
- 2.23Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowedAcute toxicity, oral
- H312 Harmful in contact with skinAcute toxicity, dermal
- H315 Causes skin irritationSkin corrosion/irritation
- H319 Causes serious eye irritationSerious eye damage/eye irritation
- H341 Suspected of causing genetic defectsGerm cell mutagenicity
- H350 May cause cancerCarcinogenicity
- H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI), via PubChem.
Precautionary statements
P203, P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P317, P318, P321, P330, P332+P317, P337+P317, P362+P364, P391, P405, P501
Identifiers
CAS number
91-22-5SMILES
c1ccc2ncccc2c1InChIKey
SMWDFEZZVXVKRB-UHFFFAOYSA-NInChI
InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- 1-Azanaphthalene
- 1-Benzazine
- Benzo[b]pyridine
- Leucol
- Leukol
- Benzopyridine
- Quinolin
- B 500
- Leucoline
- NSC 3396
Reactions
Work with Quinoline
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Quinoline monohydrochloride530-64-385 % similar
1,5-Naphthyridine254-79-567 % similar
1,6-Naphthyridine253-72-558 % similar
Quinoxaline91-19-058 % similar
Benzo[F]quinoline85-02-956 % similar
Pyrido[2,3-B]pyrazine322-46-355 % similar
1,8-Naphthyridine254-60-452 % similar
6-Iodoquinoline13327-31-652 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds