4-Methylindole
Properties
- Molecular formula
- C9H9N
- Molar mass
- 131.18 g/mol
- Exact mass
- 131.0735 Da
- Density
- 1.062 g/mL (at 20 °C)
- Melting point
- 5 °C
- Boiling point
- 267 °C
- logP
- 2.48Crippen estimate
- Polar surface area
- 15.8 Ų
- H-bond donors / acceptors
- 1 / 0
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.1% of notifiers
Aggregated from 34 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
16096-32-5SMILES
Cc1cccc2[nH]ccc12InChIKey
PZOUSPYUWWUPPK-UHFFFAOYSA-NInChI
InChI=1S/C9H9N/c1-7-3-2-4-9-8(7)5-6-10-9/h2-6,10H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- 1H-Indole, 4-methyl-
- Indole, 4-methyl-
- 4-Methyl-1H-indole
Work with 4-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
4-Chloroindole25235-85-254 % similar
4-Bromoindole52488-36-554 % similar
Skatole83-34-154 % similar
1H-Indol-4-ol2380-94-152 % similar
4-Fluoroindole387-43-952 % similar
4-Aminoindole5192-23-452 % similar
4-Methoxy-1H-indole4837-90-552 % similar
1,5-Dimethylnaphthalene571-61-950 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.