1-Methylindole
Properties
- Molecular formula
- C9H9N
- Molar mass
- 131.18 g/mol
- Exact mass
- 131.0735 Da
- Melting point
- 186–187 °C
- Boiling point
- 237 °C
- logP
- 2.18Crippen estimate
- Polar surface area
- 4.9 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation90.9% of notifiers
- H319 Causes serious eye irritation90.9% of notifiers
- H335 May cause respiratory irritation72.7% of notifiers
Aggregated from 11 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
603-76-9SMILES
Cn1ccc2ccccc21InChIKey
BLRHMMGNCXNXJL-UHFFFAOYSA-NInChI
InChI=1S/C9H9N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-7H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- 1H-Indole, 1-methyl-
- Indole, 1-methyl-
- 1-Methyl-1H-indole
- N-Methylindole
- NSC 212534
Reactions
Work with 1-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
1-Methyl-1H-indol-5-amine102308-97-450 % similar
1-(1H-Indol-1-yl)ethanone576-15-844 % similar
1-Methyl-2(1H)-quinolinone606-43-942 % similar
B-(1-Methyl-1H-indol-4-yl)boronic acid590417-56-441 % similar
1-Methylbenzimidazole1632-83-340 % similar
1,2-Dimethylindole875-79-639 % similar
N-Methylcarbazole1484-12-437 % similar
1-Methyl-2-phenylindole3558-24-536 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds