Isoquinoline,1,2,3,4-tetrahydro-6,7-dimethoxy-1,2-dimethyl-, hydrochloride (1:1) supplier

Name
1,2-DIMETHYL-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE
EINECS
CAS No. 5852-92-6
Density
Solubility
Melting Point 210-215 °C
Formula C₁₃H₁₉NO₂.ClH
Boiling Point 302 °C at 760 mmHg
Molecular Weight 257.76
Flash Point 100.9 °C
Transport Information
Appearance
Safety 45-36/37/39-26
Risk Codes 34
Molecular Structure
Hazard Symbols C,Xi
Synonyms Isoquinoline,1,2,3,4-tetrahydro-6,7-dimethoxy-1,2-dimethyl-, hydrochloride (9CI);NSC 36664;
PSA 21.70000
LogP 2.99260

Isoquinoline,1,2,3,4-tetrahydro-6,7-dimethoxy-1,2-dimethyl-, hydrochloride (1:1) Specification

This chemical is called Isoquinoline,1,2,3,4-tetrahydro-6,7-dimethoxy-1,2-dimethyl-, hydrochloride (1:1), and it can also be named as 1,2-Dimethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride. With the molecular formula of C₁₃H₁₉NO₂.ClH, its molecular weight is 257.76. The CAS registry number of this chemical is 5852-92-6.

Other characteristics of the Isoquinoline,1,2,3,4-tetrahydro-6,7-dimethoxy-1,2-dimethyl-, hydrochloride (1:1) can be summarised as followings: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.26; (4)ACD/LogD (pH 7.4): 1.43; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 4.43; (7)ACD/KOC (pH 5.5): 1.16; (8)ACD/KOC (pH 7.4): 57.07; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å²; (13)Flash Point: 100.9 °C; (14)Enthalpy of Vaporization: 54.22 kJ/mol; (15)Boiling Point: 302 °C at 760 mmHg; (16)Vapour Pressure: 0.00102 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: [Cl-].O(c1c(OC)cc2c(c1)C([NH+](C)CC2)C)C
2.InChI: InChI=1/C13H19NO2.ClH/c1-9-11-8-13(16-4)12(15-3)7-10(11)5-6-14(9)2;/h7-9H,5-6H2,1-4H3;1H
3.InChIKey: LARXMHOYLNCTFD-UHFFFAOYAM

Product Name

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

Isoquinoline,1,2,3,4-tetrahydro-6,7-dimethoxy-1,2-dimethyl-, hydrochloride (1:1) Specification

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