7-Methylindole
Properties
- Molecular formula
- C9H9N
- Molar mass
- 131.18 g/mol
- Exact mass
- 131.0735 Da
- Melting point
- 85 °C
- Boiling point
- 266 °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 irritation97.7% of notifiers
- H319 Causes serious eye irritation97.7% of notifiers
- H335 May cause respiratory irritation95.5% of notifiers
Aggregated from 44 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
933-67-5SMILES
Cc1cccc2cc[nH]c12InChIKey
KGWPHCDTOLQQEP-UHFFFAOYSA-NInChI
InChI=1S/C9H9N/c1-7-3-2-4-8-5-6-10-9(7)8/h2-6,10H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 1H-Indole, 7-methyl-
- Indole, 7-methyl-
- 7-Methyl-1H-indole
- NSC 618
Work with 7-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
7-Bromoindole51417-51-754 % similar
7-Chloroindole53924-05-354 % similar
7-Hydroxyindole2380-84-952 % similar
7-Fluoro-1H-indole387-44-052 % similar
7-Aminoindole5192-04-152 % similar
7-Ethylindole22867-74-952 % similar
7-Methoxyindole3189-22-852 % similar
5-Methoxy-7-methylindole61019-05-447 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.