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

C10H10Cl3NO2CAS 1289646-93-0282.54 g/mol

NHClOHOClHCl
Aryl halideCarboxylic acidSecondary 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue.

Elsewhere