Isoquinoline,1,2,3,4-tetrahydro-6-methyl- supplier

Name
6-METHYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
EINECS
CAS No. 42923-76-2
Article Data10
CAS DataBase
Density 0.991 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₃N
Boiling Point 249.649 °C at 760 mmHg
Molecular Weight 147.22
Flash Point 107.944 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Methyl-1,2,3,4-tetrahydroisoquinoline;
PSA 12.03000
LogP 1.96950

Isoquinoline,1,2,3,4-tetrahydro-6-methyl- Specification

The Isoquinoline, 1, 2, 3, 4-tetrahydro-6-methyl-, with the CAS registry number of 42923-76-2, is also known as 6-Methyl-1, 2, 3, 4-tetrahydro-isoquinoline hydrochloride. This chemical's molecular formula is C₁₀H₁₃N and molecular weight is 147.22. What's more, its IUPAC name is 6-Methyl-1, 2, 3, 4-tetrahydroisoquinoline.

Physical properties about Isoquinoline, 1, 2, 3, 4-tetrahydro-6-methyl- are: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 1; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 12.03 Å²; (11)Index of Refraction: 1.54; (12)Molar Refractivity: 46.6 cm³; (13)Molar Volume: 148.571 cm³; (14)Surface Tension: 36.012 dyne/cm; (15)Density: 0.991 g/cm³; (16)Flash Point: 107.944 °C; (17)Enthalpy of Vaporization: 48.689 kJ/mol; (18)Boiling Point: 249.649 °C at 760 mmHg; (19)Vapour Pressure: 0.023 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1ccc2c(c1)CCNC2
(2) InChI: InChI=1/C10H13N/c1-8-2-3-10-7-11-5-4-9(10)6-8/h2-3,6,11H,4-5,7H2,1H3
(3) InChIKey: JQOUGGPGOWRLPX-UHFFFAOYAX

Product Name

6-METHYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE

Isoquinoline,1,2,3,4-tetrahydro-6-methyl- Specification

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