3-Methylquinoline
Properties
- Molecular formula
- C10H9N
- Molar mass
- 143.19 g/mol
- Exact mass
- 143.0735 Da
- Density
- 1.0688 g/mL (at 20 °C)
- Melting point
- 16.5 °C
- Boiling point
- 259.8 °C
- logP
- 2.54Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H312 Harmful in contact with skin88.9% of notifiers
- H315 Causes skin irritation100% of notifiers
- H318 Causes serious eye damage86.7% of notifiers
- H319 Causes serious eye irritation13.3% of notifiers
- H332 Harmful if inhaled88.9% of notifiers
- H335 May cause respiratory irritation86.7% of notifiers
- H341 Suspected of causing genetic defects11.1% of notifiers
- H351 Suspected of causing cancer86.7% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
612-58-8SMILES
Cc1cnc2ccccc2c1InChIKey
DTBDAFLSBDGPEA-UHFFFAOYSA-NInChI
InChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-7H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
2 names
- Quinoline, 3-methyl-
- NSC 109149
Work with 3-Methylquinoline
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
6-Methylquinoline91-62-357 % similar
3-Bromoquinoline5332-24-153 % similar
3-Aminoquinoline580-17-653 % similar
3-Hydroxyquinoline580-18-753 % similar
3-Chloroquinoline612-59-953 % similar
3-Quinolinecarbonitrile34846-64-550 % similar
1-Quinolin-3-ylethanone33021-53-349 % similar
3-Quinolinecarboxaldehyde13669-42-648 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds