Basic information
- Name:
Isoquinoline,3,4-dihydro-6,7-dimethoxy-, hydrochloride (1:1)
- Superlist Name:
- 6,7-Dimethoxy-3,4-dihydroisoquinoline hydrochloride
- CAS No.:
20232-39-7
- Molecular Structure:
- Formula:
- C11H13NO2.HCl
- Molecular Weight:
- 227.69
- Synonyms:
- Isoquinoline,3,4-dihydro-6,7-dimethoxy-, hydrochloride (6CI,7CI,8CI,9CI);3,4-Dihydro-6,7-dimethoxyisoquinolinehydrochloride;
- Melting Point:
- 198-202 °C
- Boiling Point:
- 322.9 °C at 760 mmHg
- Flash Point:
- 122 °C
- Solubility:
- soluble in water
- Appearance:
- light yellow to yellow crystalline powder
- Safety Description:
- 24/25 Details
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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, |
