5,7-Dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid hydrochloride

C₁₀H₁₀Cl₃NO₂CAS 1289646-93-0282.54 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Secondary amine

Properties

Molecular formula: C₁₀H₁₀Cl₃NO₂
Molar mass: 282.54 g/mol
Exact mass: 280.9777 Da
logP: 2.76Crippen estimate
Polar surface area: 49.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

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

Identifiers

CAS number

1289646-93-0

SMILES

C1CNCC2=CC(=C(C(=C21)Cl)C(=O)O)Cl.Cl

InChIKey

CGXSFPJGZFRGNL-UHFFFAOYSA-N

InChI

InChI=1S/C10H9Cl2NO2.ClH/c11-7-3-5-4-13-2-1-6(5)9(12)8(7)10(14)15;/h3,13H,1-2,4H2,(H,14,15);1H

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Names and synonyms

1 names

6-Isoquinolinecarboxylic acid, 5,7-dichloro-1,2,3,4-tetrahydro-, hydrochloride (1:1)

Work with 5,7-Dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid hydrochloride

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Similar compounds

5,7-Dichloro-1,2,3,4-tetrahydroisoquinoline hydrochloride73075-47-549 % similar 2-(tert-Butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid851784-82-246 % similar 3,6-Dichloro-1,2,4-benzenetricarboxylic acid137071-78-443 % similar 2,3,6-Trichlorobenzoic acid50-31-742 % similar 2,4,6-Trichlorobenzoic acid50-43-140 % similar 2,3,5-Trichloro-6-hydroxybenzoic acid40932-60-339 % similar 2,6-Dichlorobenzoic acid50-30-639 % similar 4-Bromo-2,6-dichlorobenzoic acid232275-51-338 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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