1,2,3,4-Tetrahydro-7-methylisoquinoline supplier

Name
7-METHYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
EINECS 200-528-9
CAS No. 207451-81-8
Article Data4
CAS DataBase
Density 0.991g/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 22
Molecular Structure
Hazard Symbols Xn
Synonyms 7-METHYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE;AKOS BB-9297;1,2,3,4-tetrahydro-7-methylisoquinoline
PSA 12.03000
LogP 1.96950

1,2,3,4-Tetrahydro-7-methylisoquinoline Specification

The Isoquinoline,1,2,3,4-tetrahydro-7-methyl-, with CAS registry number 207451-81-8, has the systematic name of 7-methyl-1,2,3,4-tetrahydroisoquinoline. Besides this, it is also called 1,2,3,4-tetrahydro-7-methylisoquinoline. And the chemical formula of this chemical is C₁₀H₁₃N.

Physical properties of Isoquinoline,1,2,3,4-tetrahydro-7-methyl-: (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)Polarizability: 18.474×10^-24cm³; (15)Surface Tension: 36.012 dyne/cm; (16)Density: 0.991 g/cm³; (17)Flash Point: 107.944 °C; (18)Enthalpy of Vaporization: 48.689 kJ/mol; (19)Boiling Point: 249.649 °C at 760 mmHg; (20)Vapour Pressure: 0.023 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc2CCNCc2c1
(2)InChI: InChI=1/C10H13N/c1-8-2-3-9-4-5-11-7-10(9)6-8/h2-3,6,11H,4-5,7H2,1H3
(3)InChIKey: FCTMZZUXBMQAER-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C10H13N/c1-8-2-3-9-4-5-11-7-10(9)6-8/h2-3,6,11H,4-5,7H2,1H3
(5)Std. InChIKey: FCTMZZUXBMQAER-UHFFFAOYSA-N

Product Name

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

1,2,3,4-Tetrahydro-7-methylisoquinoline Specification

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