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120086-34-2

Basic Information
CAS No.: 120086-34-2
Name: 1-(4-Fluorophenyl)-1,2,3,4-tetrahydroisoquinoline
Molecular Structure:
Molecular Structure of 120086-34-2 (1-(4-Fluorophenyl)-1,2,3,4-tetrahydroisoquinoline)
Formula: C15H14FN
Molecular Weight: 227.28
Synonyms: 1-(4-Fluorophenyl)-1,2,3,4-tetrahydroisoquinoline;
EINECS:
Density: 1.132 g/cm3
Melting Point: 88-89 °C
Boiling Point: 336.3 °C at 760 mmHg
Flash Point: 157.2 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 12.03000
LogP: 3.38960
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Specification

The 1-(4-Fluorophenyl)-1,2,3,4-tetrahydroisoquinoline with its cas register number is 120086-34-2. It also can be called as Isoquinoline,1-(4-fluorophenyl)-1,2,3,4-tetrahydro- and the Systematic name about this chemical is 1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinoline.

Physical properties about 1-(4-Fluorophenyl)-1,2,3,4-tetrahydroisoquinoline are: (1)ACD/LogP: 2.76; (2)ACD/LogD (pH 7.4): 1.3; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 2.59; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 26.61; (7)#H bond acceptors: 1; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 12.03Å2; (11)Index of Refraction: 1.573; (12)Molar Refractivity: 66.21 cm3; (13)Molar Volume: 200.6 cm3; (14)Polarizability: 26.24x10-24cm3; (15)Surface Tension: 40.6 dyne/cm; (16)Enthalpy of Vaporization: 57.94 kJ/mol; (17)Vapour Pressure: 0.000113 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)C2NCCc3ccccc23
(2)InChI: InChI=1/C15H14FN/c16-13-7-5-12(6-8-13)15-14-4-2-1-3-11(14)9-10-17-15/h1-8,15,17H,9-10H2
(3)InChIKey: MKPFRVUDEFFJHS-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C15H14FN/c16-13-7-5-12(6-8-13)15-14-4-2-1-3-11(14)9-10-17-15/h1-8,15,17H,9-10H2
(5)Std. InChIKey: MKPFRVUDEFFJHS-UHFFFAOYSA-N