Tetrahydroquinoline

C9H11NCAS 635-46-1133.19 g/mol

Open in Covalent MOL file
NH
Secondary amine

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 82 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
635-46-1
SMILES
c1ccc2c(c1)CCCN2
InChIKey
LBUJPTNKIBCYBY-UHFFFAOYSA-N
InChI
InChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6,10H,3,5,7H2

Weigh 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

2,3,4,5-Tetrahydro-1H-benzo[B]azepine1701-57-186 % similar Indoline496-15-177 % similar 2,3,4,5-Tetrahydro-1H-1,4-benzodiazepine5946-39-456 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(R)-(-)-1-Aminoindan10277-74-4 5,6,7,8-Tetrahydroquinoline10500-57-9 Tranylcypromine155-09-9 Indan-5-amine24425-40-9 2-Aminoindane2975-41-9 4-Cyclopropylaniline3158-71-2 4-Aminoindane32202-61-2 (+-)-1-Aminoindan34698-41-4

Elsewhere

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