Basic information
- Name:
Isoquinoline,1,2,3,4-tetrahydro-7-methyl-
- Superlist Name:
- 1,2,3,4-Tetrahydro-7-methylisoquinoline
- CAS No.:
207451-81-8
- Molecular Structure:
- Formula:
- C10H13N
- Molecular Weight:
- 147.22
- Density:
- 0.991g/cm3
- Boiling Point:
- 249.649 °C at 760 mmHg
- Flash Point:
- 107.944 °C
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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