Quinaldine
Properties
- Molecular formula
- C10H9N
- Molar mass
- 143.19 g/mol
- Exact mass
- 143.0735 Da
- Density
- 1.038 g/mL (at 20 °C)
- Melting point
- −1.5 °C
- Boiling point
- 246.5 °C
- Flash point
- 79.4 °C
- logP
- 2.54Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H302+H312 Harmful if swallowed or in contact with skin26.8% of notifiers
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H315 Causes skin irritation29.3% of notifiers
- H319 Causes serious eye irritation89.5% of notifiers
- H341 Suspected of causing genetic defects28.3% of notifiers
- H412 Harmful to aquatic life with long lasting effects28.1% of notifiers
Aggregated from 392 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
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, P405, P501
Identifiers
CAS number
91-63-4SMILES
Cc1ccc2ccccc2n1InChIKey
SMUQFGGVLNAIOZ-UHFFFAOYSA-NInChI
InChI=1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Quinoline, 2-methyl-
- 2-Methylquinoline
- Khinaldin
- NSC 3397
- 2-Methylchinoline
Work with Quinaldine
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
2,7-Dimethylquinoline93-37-859 % similar
2,6-Dimethylquinoline877-43-057 % similar
2,2′-Biquinoline119-91-556 % similar
7-Fluoro-2-methylquinoline1128-74-153 % similar
7-Chloroquinaldine4965-33-753 % similar
Neocuproine484-11-752 % similar
2-Methyl-1,5-naphthyridine7675-32-352 % similar
6-Fluoro-2-methylquinoline1128-61-652 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.