5,6,7,8-Tetrahydroquinoline
Properties
- Molecular formula
- C9H11N
- Molar mass
- 133.19 g/mol
- Exact mass
- 133.0891 Da
- Density
- 1.025 g/mL (at 22 °C)
- Boiling point
- 222 °C
- logP
- 1.96Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed77.8% of notifiers
- H315 Causes skin irritation66.7% of notifiers
- H319 Causes serious eye irritation66.7% of notifiers
- H335 May cause respiratory irritation33.3% of notifiers
Aggregated from 9 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
10500-57-9SMILES
c1cnc2c(c1)CCCC2InChIKey
YQDGQEKUTLYWJU-UHFFFAOYSA-NInChI
InChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h3,5,7H,1-2,4,6H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Quinoline, 5,6,7,8-tetrahydro-
- 2,3-Cyclohexenopyridine
- NSC 241127
Work with 5,6,7,8-Tetrahydroquinoline
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
6,7-Dihydro-5H-cyclopenta[b]pyridine533-37-991 % similar
5,6,7,8-Tetrahydro-1,7-naphthyridine hydrochloride1338707-67-753 % similar
5,6,7,8-Tetrahydroquinoxaline34413-35-952 % similar
Tetralin119-64-248 % similar
2,3-Dihydro-1H-pyrrolo[2,3-B]pyridine10592-27-547 % similar
5,6,7,8-Tetrahydroquinolinone-553400-41-244 % similar
6,7-Dihydro-5H-quinoline-8-one56826-69-844 % similar
6,7-Dihydro-5H-1-pyridin-5-one28566-14-542 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.