Tetrahydroquinoline
Properties
- Molecular formula
- C9H11N
- Molar mass
- 133.19 g/mol
- Exact mass
- 133.0891 Da
- Density
- 1.0599 g/mL (at 20 °C)
- Melting point
- 20 °C
- Boiling point
- 251 °C
- logP
- 2.04Crippen estimate
- Polar surface area
- 12.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Identifiers
CAS number
635-46-1SMILES
c1ccc2c(c1)CCCN2InChIKey
LBUJPTNKIBCYBY-UHFFFAOYSA-NInChI
InChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6,10H,3,5,7H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- Quinoline, 1,2,3,4-tetrahydro-
- 1,2,3,4-Tetrahydroquinoline
- Kusol
- THQ
- NSC 15311
- 1,2,3,4-Hydroquinoline
- 3,4-Dihydro-2H-quinoline
- 1,2,3,4-Tetrahydroquinline
Work with 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
Indoline496-15-177 % similar
1,2,3,4-Tetrahydroquinoxaline3476-89-955 % similar
10,11-Dihydro-5H-dibenz[B,F]azepine494-19-954 % similar
6''-Amino-1,2,3,4-tetrahydroquinoline103796-41-450 % similar
5-Bromo-1,2,3,4-tetrahydroquinoline114744-50-250 % similar
7-Bromo-1,2,3,4-tetrahydroquinoline114744-51-350 % similar
Tetralin119-64-250 % similar
6-Hydroxy-1,2,3,4-tetrahydroquinoline3373-00-050 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds