5,7-Dichloro-1,2,3,4-tetrahydroisoquinoline hydrochloride

C₉H₁₀Cl₃NCAS 73075-47-5238.54 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine

Properties

Molecular formula: C₉H₁₀Cl₃N
Molar mass: 238.54 g/mol
Exact mass: 236.9879 Da
logP: 3.06Crippen estimate
Polar surface area: 12.0 Å²
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. Search the SDS library

Identifiers

CAS number

73075-47-5

SMILES

C1CNCC2=C1C(=CC(=C2)Cl)Cl.Cl

InChIKey

OQLXYGUEFSFZIX-UHFFFAOYSA-N

InChI

InChI=1S/C9H9Cl2N.ClH/c10-7-3-6-5-12-2-1-8(6)9(11)4-7;/h3-4,12H,1-2,5H2;1H

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Names and synonyms

1 names

5,7-Di-chloro-1,2,3,4-tetrahydroisoquinoline hcl

Work with 5,7-Dichloro-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

Similar compounds

5,7-Dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid hydrochloride1289646-93-049 % similar 1,2,3,4-Tetrahydroisoquinoline hydrochloride14099-81-144 % similar 7-Bromo-1,2,3,4-tetrahydroisoquinoline hydrochloride220247-73-441 % similar (2,4-Dichlorobenzyl)methylamine hydrochloride90389-07-440 % similar 2-Chloro-5,6,7,8-tetrahydro-1,6-naphthyridine hydrochloride766545-20-440 % similar 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride2328-12-339 % similar 7-Trifluoromethyl-1,2,3,4-tetrahydro-isoquinoline hydrochloride220247-87-039 % similar 6-Bromo-1,2,3,4-tetrahydroisoquinoline hydrochloride215798-19-938 % similar

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

Elsewhere

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