1-(4-Fluorophenyl)-1,2,3,4-tetrahydroisoquinoline supplier

Name
1-(4-Fluorophenyl)-1,2,3,4-tetrahydroisoquinoline
EINECS
CAS No. 120086-34-2
Article Data5
CAS DataBase
Density 1.132 g/cm³
Solubility
Melting Point 88-89 °C
Formula C₁₅H₁₄FN
Boiling Point 336.3 °C at 760 mmHg
Molecular Weight 227.281
Flash Point 157.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(4-Fluorophenyl)-1,2,3,4-tetrahydroisoquinoline;
PSA 12.03000
LogP 3.38960

1-(4-Fluorophenyl)-1,2,3,4-tetrahydroisoquinoline 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

Product Name

1-(4-Fluorophenyl)-1,2,3,4-tetrahydroisoquinoline

1-(4-Fluorophenyl)-1,2,3,4-tetrahydroisoquinoline Specification

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