CAS No.215788-34-4,5-(TRIFLUOROMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	215788-34-4
Name:	5-(TRIFLUOROMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE
Article Data:	5

Formula:	C₁₀H₁₀F₃N
Molecular Weight:	201.191
Synonyms:	5-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;
Density:	1.213 g/cm³
Boiling Point:	217.4 °C at 760 mmHg
Flash Point:	85.3 °C
Risk Codes:	36
Safety:	26
PSA:	12.03000
LogP:	3.48190

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Specification

The CAS register number of 5-Trifluoromethyl-1,2,3,4-tetrahydroisoquinoline is 215788-34-4. The systematic name about this chemical is 5-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride. Its molecular formula is C₁₀H₁₀F₃N and molecular weight is 237.65.

Physical properties about 5-Trifluoromethyl-1,2,3,4-tetrahydroisoquinoline are: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.41; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 7.6; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 0; (11)Polar Surface Area: 12.03Å²; (12)Index of Refraction: 1.475; (13)Molar Refractivity: 46.75 cm³; (14)Molar Volume: 165.8 cm³; (15)Surface Tension: 28.6 dyne/cm; (16)Density: 1.213 g/cm³; (17)Flash Point: 85.3 °C; (18)Enthalpy of Vaporization: 45.38 kJ/mol; (19)Boiling Point: 217.4 °C at 760 mmHg; (20)Vapour Pressure: 0.133 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: FC(F)(F)c1cccc2CNCCc12
2.InChI: InChI=1/C10H10F3N/c11-10(12,13)9-3-1-2-7-6-14-5-4-8(7)9/h1-3,14H,4-6H2
3.InChIKey: VPHAVSUTGGDJSC-UHFFFAOYAU
4.Std. InChI: InChI=1S/C10H10F3N/c11-10(12,13)9-3-1-2-7-6-14-5-4-8(7)9/h1-3,14H,4-6H2