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Isoquinoline,3,4-dihydro-6,7-dimethoxy-, hydrochloride (1:1) (20232-39-7)

Identification
Name:Isoquinoline,3,4-dihydro-6,7-dimethoxy-, hydrochloride (1:1)
Synonyms:Isoquinoline,3,4-dihydro-6,7-dimethoxy-, hydrochloride (6CI,7CI,8CI,9CI);3,4-Dihydro-6,7-dimethoxyisoquinolinehydrochloride;
CAS:20232-39-7
EINECS: 213-573-9
Molecular Formula: C11H13NO2.HCl
Molecular Weight: 227.69
InChI: InChI=1/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
Molecular Structure: (C11H13NO2.HCl) Isoquinoline,3,4-dihydro-6,7-dimethoxy-, hydrochloride (6CI,7CI,8CI,9CI);3,4-Dihydro-6,7-dimethoxyis...
Properties
Density:g/cm3
Stability:Stable under normal temperatures and pressures.
Refractive index:1.548
Water Solubility:soluble
Solubility:soluble
Appearance:light yellow to yellow crystalline powder
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,

 

Storage Temperature: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Data
 

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