CAS 2328-12-3|CAS 2328/12/3|heliamine hydrochloride|6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride 97%|6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride|6,7-Dimethoxy-1,2,3,4-te...

General Information

Structure

Molecular Formula

C₁₁H₁₆ClNO₂

Molecular Mass

229.70324

Exact Mass

229.08695644

Charge

InChI

InChI=1S/C11H15NO2.ClH/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2;/h5-6,12H,3-4,7H2,1-2H3;1H

InChIKey

SHOWAGCIRTUYNA-UHFFFAOYSA-N

Canonic Smiles

COc1cc2CNCCc2cc1OC.Cl

Isomeric Smiles

c1(c(cc2c(c1)CNCC2)OC)OC.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.8272995

LogD (pH = 7.4)

-0.437761

Log P

1.2561406

Molar Refractivity

55.542

Polarizability

21.601845

Polar Surface Area

30.49

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

heliamine hydrochloride

Synonyms

6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride 97%6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride盐酸6,7-二甲氧基-1,2,3,4-四氢异喹啉6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolinehydrochloride6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinoline hydrochloride6,7-二甲氧基-1,2,3,4-四氢异喹啉盐酸盐

IUPAC name

6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride

Names and Identifiers

Registration numbers

CAS Number

Beilstein Number

MDL Number

PubChem SID