Indoline
Properties
- Molecular formula
- C8H9N
- Molar mass
- 119.17 g/mol
- Exact mass
- 119.0735 Da
- Density
- 1.0672 g/mL (at 20 °C)
- Boiling point
- 229 °C
- logP
- 1.65Crippen estimate
- Polar surface area
- 12.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed54.5% of notifiers
- H315 Causes skin irritation72.7% of notifiers
- H319 Causes serious eye irritation72.7% of notifiers
- H335 May cause respiratory irritation63.6% of notifiers
Aggregated from 11 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
496-15-1SMILES
c1ccc2c(c1)CCN2InChIKey
LPAGFVYQRIESJQ-UHFFFAOYSA-NInChI
InChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,9H,5-6H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- 1H-Indole, 2,3-dihydro-
- 2,3-Dihydro-1H-indole
- 1-Azaindan
- 2,3-Dihydroindole
- 1H-Indoline
Work with Indoline
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
Tetrahydroquinoline635-46-177 % similar
2,3,4,5-Tetrahydro-1H-benzo[B]azepine1701-57-174 % similar
2,3,4,5-Tetrahydro-1H-1,4-benzodiazepine5946-39-458 % similar
1,2,3,4-Tetrahydroquinoxaline3476-89-957 % similar
10,11-Dihydro-5H-dibenz[b,f]azepine494-19-957 % similar
2,3,4,5-Tetrahydro-1H-benzo(d)azepine4424-20-852 % similar
5-Bromoindoline22190-33-648 % similar
5-Fluoroindoline2343-22-848 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds