CAS No.59382-36-4,(RS)-1-[3-(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	59382-36-4
Name:	(RS)-1-[3-(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE
Article Data:	10

Formula:	C₉H₁₀F₃N
Molecular Weight:	189.18
Synonyms:	1-(3-Trifluoromethylphenyl)ethylamine;1-[3-(Trifluoromethyl)phenyl]ethanamine;3-(Trifluoromethyl)-a-methylbenzylamine;
Density:	1.18 g/cm³
Melting Point:	0°C
Boiling Point:	184.1 °C at 760 mmHg
Flash Point:	72.2 °C
Hazard Symbols:	Xi
Risk Codes:	34
Safety:	26-36/37/39

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Specification

The CAS register number of Benzenemethanamine, a-methyl-3-(trifluoromethyl)- is 59382-36-4. It also can be called as 3-(Trifluoromethyl)-a-methylbenzylamine and the systematic name about this chemical is 1-[3-(trifluoromethyl)phenyl]ethanamine. The molecular formula about this chemical is C₉H₁₀F₃N and the molecular weight is 189.18.

Physical properties about Benzenemethanamine, a-methyl-3-(trifluoromethyl)- are: (1)ACD/LogP: 2.01; (2)ACD/LogD (pH 5.5): -1.03; (3)ACD/LogD (pH 7.4): 0.02; (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): 3.03; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 3.24 Å²; (12)Index of Refraction: 1.465; (13)Molar Refractivity: 44.32 cm³; (14)Molar Volume: 160.1 cm³; (15)Polarizability: 17.56x10^-24cm³; (16)Surface Tension: 28 dyne/cm; (17)Density: 1.18 g/cm³; (18)Flash Point: 72.2 °C; (19)Enthalpy of Vaporization: 42.03 kJ/mol; (20)Boiling Point: 184.1 °C at 760 mmHg; (21)Vapour Pressure: 0.746 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cccc(c1)C(N)C
(2)InChI: InChI=1/C9H10F3N/c1-6(13)7-3-2-4-8(5-7)9(10,11)12/h2-6H,13H2,1H3
(3)InChIKey: ODZXRBRYQGYVJY-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C9H10F3N/c1-6(13)7-3-2-4-8(5-7)9(10,11)12/h2-6H,13H2,1H3
(5)Std. InChIKey: ODZXRBRYQGYVJY-UHFFFAOYSA-N