1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid hydrochloride

C₁₀H₁₂ClNO₂CAS 41994-51-8213.66 g/mol

Open in Covalent MOL file

Alcohol Carboxylic Acid Halogen Secondary Amine

Properties

Molecular formula: C₁₀H₁₂ClNO₂
Molar mass: 213.66 g/mol
Exact mass: 213.0557 Da
Melting point: 305 °C (decomposes)
logP: 1.21Crippen estimate
Polar surface area: 49.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

41994-51-8

SMILES

Cl.O=C(O)C1Cc2ccccc2CN1

InChIKey

FXHCFPUEIDRTMR-UHFFFAOYSA-N

InChI

InChI=1S/C10H11NO2.ClH/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9;/h1-4,9,11H,5-6H2,(H,12,13);1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, hydrochloride (1:1)
3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, hydrochloride
3-Carboxy-1,2,3,4-tetrahydroisoquinoline hydrochloride

Work with 1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid 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

Same formula

Chlorpropham101-21-3 Baclofen1134-47-0 (βS)-β-Amino-2-chlorobenzenebutanoic acid270596-36-6 (βS)-β-Amino-4-chlorobenzenebutanoic acid270596-41-3 (-)-Baclofen69308-37-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook