1,2,3,4-Tetrahydroisoquinoline hydrochloride

C9H12ClNCAS 14099-81-1169.65 g/mol

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HClNH
Secondary amine

Properties

Molecular formula
C9H12ClN
Molar mass
169.65 g/mol
Exact mass
169.0658 Da
Melting point
195–196 °C
logP
1.75Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
14099-81-1
SMILES
Cl.c1ccc2c(c1)CCNC2
InChIKey
MGFREDWKELGWML-UHFFFAOYSA-N
InChI
InChI=1S/C9H11N.ClH/c1-2-4-9-7-10-6-5-8(9)3-1;/h1-4,10H,5-7H2;1H

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Names and synonyms

2 names
  • Isoquinoline, 1,2,3,4-tetrahydro-, hydrochloride (1:1)
  • Isoquinoline, 1,2,3,4-tetrahydro-, hydrochloride

Work with 1,2,3,4-Tetrahydroisoquinoline hydrochloride

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 Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Tetrahydroisoquinoline91-21-4Free base

Similar compounds

2,3,4,5-Tetrahydro-1H-benzo(d)azepine4424-20-865 % similar Isoindoline496-12-857 % similar 5,6,7,8-Tetrahydro-1,7-naphthyridine hydrochloride1338707-67-756 % similar 6-Bromo-1,2,3,4-tetrahydroisoquinoline hydrochloride215798-19-956 % similar 7-Bromo-1,2,3,4-tetrahydroisoquinoline hydrochloride220247-73-456 % similar 7-Trifluoromethyl-1,2,3,4-tetrahydro-isoquinoline hydrochloride220247-87-051 % similar 6-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride57196-62-051 % similar 4,5,6,7-Tetrahydrothieno[3,2-c]pyridine hydrochloride28783-41-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(R)-2,3-Dihydro-1H-inden-1-amine hydrochloride10305-73-4 2-Aminoindan hydrochloride2338-18-3 1-Aminoindane hydrochloride70146-15-5 4-tert-Butyl-2-chloropyridine81167-60-4

Elsewhere

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