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4-(Trifluoromethyl)cyclohexanamine

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Name

4-(Trifluoromethyl)cyclohexanamine

EINECS N/A
CAS No. 58665-70-6 Density 1.136 g/cm3
PSA 26.02000 LogP 2.76650
Solubility N/A Melting Point N/A
Formula C7H12F3N Boiling Point 145.123 °C at 760 mmHg
Molecular Weight 167.174 Flash Point 51.986 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 58665-70-6 (4-(Trifluoromethyl)cyclohexanamine) Hazard Symbols N/A
Synonyms

trans-4-trifluormethyl-cyclohexyl-amine;4-Trifluormethylcyclohexylamin;4-trifluoromethyl-cyclohexylamine;trans-4-trifluoromethyl-cyclohexylamine;

 

4-(Trifluoromethyl)cyclohexanamine Specification

The 4-(Trifluoromethyl)cyclohexanamine has the CAS registry number of 58665-70-6. Its molecular formula is C7H12F3N and its molecular weight is 167.17209. Additionally, its IUPAC name is 4-(trifluoromethyl)cyclohexan-1-amine.

Other characteristics of the 4-(Trifluoromethyl)cyclohexanamine can be summarised as followings: (1)ACD/LogP:  1.52; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  -2; (4)ACD/LogD (pH 7.4):  -2; (5)ACD/BCF (pH 5.5):  1; (6)ACD/BCF (pH 7.4):  1; (7)ACD/KOC (pH 5.5):  1; (8)ACD/KOC (pH 7.4):  1; (9)#H bond acceptors:  1; (10)#H bond donors:  2; (11)#Freely Rotating Bonds:  1; (12)Polar Surface Area:  26.02 Å2; (13)Index of Refraction:  1.404; (14)Molar Refractivity:  36.011 cm3; (15)Molar Volume:  147.094 cm3; (16)Polarizability:  14.276×10-24cm3; (17)Surface Tension:  25.374 dyne/cm; (18)Density:  1.136 g/cm3; (19)Flash Point:  51.986 °C; (20)Enthalpy of Vaporization:  38.218 kJ/mol; (21)Boiling Point:  145.123 °C at 760 mmHg; (22)Vapour Pressure:  4.932 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: FC(F)(F)C1CCC(N)CC1
2.InChI: InChI=1/C7H12F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h5-6H,1-4,11H2
3.InChIKey: YCBWLMWEQURJHX-UHFFFAOYAN

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