1-Methyl-1,2,3,4-tetrahydroisoquinoline supplier

Name
1-methyl-1,2,3,4-tetrahydroisoquinoline
EINECS 803-804-7
CAS No. 4965-09-7
Article Data2
CAS DataBase
Density 0.966 g/cm³
Solubility Slightly soluble in water.
Melting Point
Formula C₁₀H₁₃N
Boiling Point 239.3 °C at 760 mmHg
Molecular Weight 147.22
Flash Point 100 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2,3,4-Tetrahydro-1-methylisoquinoline;1-Methyl-1,2,3,4-tetrahydroisoquinoline;
PSA 12.03000
LogP 2.22210

1-Methyl-1,2,3,4-tetrahydroisoquinoline Specification

The 1-Methyl-1,2,3,4-tetrahydroisoquinoline, with the CAS registry number 4965-09-7, is also known as Isoquinoline, 1,2,3,4-tetrahydro-1-methyl-. This chemical's molecular formula is C₁₀H₁₃N and molecular weight is 147.22. Its systematic name is called 1-methyl-1,2,3,4-tetrahydroisoquinoline. This chemical's classification codes are Dopamine Agents; Dopamine Antagonists; Neurotransmitter Agents.

Physical properties of 1-Methyl-1,2,3,4-tetrahydroisoquinoline: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.17; (4)ACD/LogD (pH 7.4): -0.36; (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): 1.41; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.522; (13)Molar Refractivity: 46.48 cm³; (14)Molar Volume: 152.2 cm³; (15)Surface Tension: 33.2 dyne/cm; (16)Density: 0.966 g/cm³; (17)Flash Point: 100 °C; (18)Enthalpy of Vaporization: 47.62 kJ/mol; (19)Boiling Point: 239.3 °C at 760 mmHg; (20)Vapour Pressure: 0.0404 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)C(NCC2)C
(2)InChI: InChI=1/C10H13N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-5,8,11H,6-7H2,1H3
(3)InChIKey: QPILYVQSKNWRDD-UHFFFAOYAS

Product Name

1-methyl-1,2,3,4-tetrahydroisoquinoline

1-Methyl-1,2,3,4-tetrahydroisoquinoline Specification

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