Product Name

  • Name

    6,7-Dimethoxy-3,4-dihydroisoquinoline hydrochloride

  • EINECS 213-573-9
  • CAS No. 20232-39-7
  • Article Data2
  • CAS DataBase
  • Density 1.13g/cm3
  • Solubility soluble in water
  • Melting Point 198-202 °C
  • Formula C11H13NO2.HCl
  • Boiling Point 322.9 °C at 760 mmHg
  • Molecular Weight 227.691
  • Flash Point 122 °C
  • Transport Information
  • Appearance light yellow to yellow crystalline powder
  • Safety 24/25
  • Risk Codes 22
  • Molecular Structure Molecular Structure of 20232-39-7 (6,7-Dimethoxy-3,4-dihydroisoquinoline hydrochloride)
  • Hazard Symbols Xn
  • Synonyms Isoquinoline,3,4-dihydro-6,7-dimethoxy-, hydrochloride (6CI,7CI,8CI,9CI);3,4-Dihydro-6,7-dimethoxyisoquinolinehydrochloride;
  • PSA 30.82000
  • LogP 1.91640

6,7-Dimethoxy-3,4-dihydroisoquinoline hydrochloride Specification

The 6,7-Dimethoxy-3,4-dihydroisoquinoline hydrochloride with its cas register number is 20232-39-7. It also can be called as Isoquinoline, 3,4-dihydro-6,7-dimethoxy-, hydrochloride  and the IUPAC Name about this chemical is 6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium chloride. It belongs to the API intermediates. In the using process, you need avoid contact with skin and eyes.

Physical properties about 6,7-Dimethoxy-3,4-dihydroisoquinoline hydrochloride are: (1)ACD/LogP: 1.63; (2)ACD/LogD (pH 5.5): 1.17; (3)ACD/LogD (pH 7.4): 1.61; (4)ACD/BCF (pH 5.5): 3.54; (5)ACD/BCF (pH 7.4): 9.88; (6)ACD/KOC (pH 5.5): 63.77; (7)ACD/KOC (pH 7.4): 178.13; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 21.47Å2; (11)Enthalpy of Vaporization: 54.23 kJ/mol; (12)Vapour Pressure: 0.000513 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=C2C=[NH+]CCC2=C1)OC.[Cl-]
(2)InChI: InChI=1S/C11H13NO2.ClH/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2;/h5-7H,3-4H2,1-2H3;1H
(3)InChIKey: PQXVEYYRJHMTEV-UHFFFAOYSA-N 

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 185mg/kg (185mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Yakugaku Zasshi. Journal of Pharmacy. Vol. 88, Pg. 1197,

 

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