6,7-DIMETHOXY-3-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE

The Isoquinoline, 1, 2, 3, 4-tetrahydro-6, 7-dimethoxy-3-methyl-, hydrochloride (1:1), with the CAS registry number 6266-97-3, is also known as 6, 7-Dimethoxy-3-methyl-1, 2, 3, 4-tetrahydroisoquinolinium chloride. This chemical's molecular formula is C₁₂H₁₈ClNO₂ and molecular weight is 243.73. What's more, its IUPAC name is 6, 7-Dimethoxy-3-methyl-1, 2, 3, 4-tetrahydroisoquinolin-2-ium chloride. In addition, this chemical's classification code is Drug / Therapeutic Agent. Besides, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should avoid contact oxidant, incompatible material.

Physical properties about Isoquinoline, 1, 2, 3, 4-tetrahydro-6, 7-dimethoxy-3-methyl-, hydrochloride (1:1) are: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.34; (4)ACD/LogD (pH 7.4): -0.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 3.96; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å²; (13)Flash Point: 129.9 °C; (14)Enthalpy of Vaporization: 56.29 kJ/mol; (15)Boiling Point: 321.2 °C at 760 mmHg; (16)Vapour Pressure: 0.000303 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, you should wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: [Cl-].O(c1c(OC)cc2c(c1)CC([NH2+]C2)C)C
(2) InChI: InChI=1/C12H17NO2.ClH/c1-8-4-9-5-11(14-2)12(15-3)6-10(9)7-13-8;/h5-6,8,13H,4,7H2,1-3H3;1H
(3) InChIKey: AFFAKYIZHAGJMU-UHFFFAOYAO

The toxicity data is as follows: