6-Methylisoquinoline
Properties
- Molecular formula
- C10H9N
- Molar mass
- 143.19 g/mol
- Exact mass
- 143.0735 Da
- Melting point
- 85.5 °C
- Boiling point
- 265.5 °C
- logP
- 2.54Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowed40% of notifiers
- H311 Toxic in contact with skin20% of notifiers
- H315 Causes skin irritation80% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation60% of notifiers
- H412 Harmful to aquatic life with long lasting effects20% of notifiers
Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
42398-73-2SMILES
Cc1ccc2cnccc2c1InChIKey
PPEJLOXOMBAXES-UHFFFAOYSA-NInChI
InChI=1S/C10H9N/c1-8-2-3-10-7-11-5-4-9(10)6-8/h2-7H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Isoquinoline, 6-methyl-
Work with 6-Methylisoquinoline
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
2,6-Dimethylnaphthalene581-42-061 % similar
6-Aminoisoquinoline23687-26-553 % similar
6-Bromoisoquinoline34784-05-953 % similar
6-Chloroisoquinoline62882-02-453 % similar
Isoquinolin-6-ol7651-82-353 % similar
6-Methoxyisoquinoline52986-70-653 % similar
6-Isopropylisoquinoline790304-84-653 % similar
2,7-Dimethylnaphthalene582-16-152 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds