2-Methylindole
Properties
- Molecular formula
- C9H9N
- Molar mass
- 131.18 g/mol
- Exact mass
- 131.0735 Da
- Melting point
- 61 °C
- Boiling point
- 272 °C
- logP
- 2.48Crippen estimate
- Polar surface area
- 15.8 Ų
- H-bond donors / acceptors
- 1 / 0
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowed13.8% of notifiers
- H318 Causes serious eye damage86.2% of notifiers
Aggregated from 80 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, P501
Identifiers
CAS number
95-20-5SMILES
Cc1cc2ccccc2[nH]1InChIKey
BHNHHSOHWZKFOX-UHFFFAOYSA-NInChI
InChI=1S/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,10H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 1H-Indole, 2-methyl-
- Indole, 2-methyl-
- 2-Methyl-1H-indole
- NSC 7514
Reactions
Work with 2-Methylindole
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
2,5-Dimethylindole1196-79-857 % similar
2-(1,1-Dimethylethyl)-1H-indole1805-65-855 % similar
5-Bromo-2-methylindole1075-34-953 % similar
5-Chloro-2-methyl-1H-indole1075-35-053 % similar
2-Methyl-1H-indol-5-ol13314-85-753 % similar
5-Fluoro-2-methylindole399-72-453 % similar
4-Amino-2-methylquinoline6628-04-252 % similar
5-Methoxy-2-methylindole1076-74-050 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds