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771581-64-7

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Basic Information
CAS No.: 771581-64-7
Name: 4-METHYL-3-(TRIFLUOROMETHYL)BENZYLAMINE
Molecular Structure:
Molecular Structure of 771581-64-7 (4-METHYL-3-(TRIFLUOROMETHYL)BENZYLAMINE)
Formula: C9H10F3N
Molecular Weight: 189.18
Synonyms: RARECHEM AL BW 0963;4-Methyl-3-(trifluoromethyl)benzylamine;
Density: 1.188 g/cm3
Boiling Point: 200.1 °C at 760 mmHg
Flash Point: 80.8 °C
Hazard Symbols: Xi
Risk Codes: 36
Safety: 26
PSA: 26.02000
LogP: 3.17280
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Specification

The CAS register number of Benzenemethanamine,4-methyl-3-(trifluoromethyl)- is 771581-64-7. It also can be called as 4-Methyl-3-(trifluoromethyl)benzylamine and the systematic name about this chemical is 1-[4-methyl-3-(trifluoromethyl)phenyl]methanamine. The molecular formula about this chemical is C9H10F3N and the molecular weight is 189.18.

Physical properties about Benzenemethanamine,4-methyl-3-(trifluoromethyl)- are: (1)ACD/LogP: 2.12; (2)ACD/LogD (pH 7.4): 0.35; (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): 5.74; (7)#H bond acceptors: 1; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 26.02 Å2; (11)Index of Refraction: 1.471; (12)Molar Refractivity: 44.5 cm3; (13)Molar Volume: 159.2 cm3; (14)Polarizability: 17.64x10-24cm3; (15)Surface Tension: 28.5 dyne/cm; (16)Density: 1.188 g/cm3; (17)Flash Point: 80.8 °C; (18)Enthalpy of Vaporization: 43.63 kJ/mol; (19)Boiling Point: 200.1 °C at 760 mmHg; (20)Vapour Pressure: 0.331 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(cc1C(F)(F)F)CN
(2)InChI: InChI=1/C9H10F3N/c1-6-2-3-7(5-13)4-8(6)9(10,11)12/h2-4H,5,13H2,1H3
(3)InChIKey: QPMGRSWJTRAJIK-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C9H10F3N/c1-6-2-3-7(5-13)4-8(6)9(10,11)12/h2-4H,5,13H2,1H3
(5)Std. InChIKey: QPMGRSWJTRAJIK-UHFFFAOYSA-N