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| CAS No.: | 58665-70-6 |
|---|---|
| Name: | 4-(Trifluoromethyl)cyclohexanamine |
| Molecular Structure: | |
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| Formula: | C7H12F3N |
| Molecular Weight: | 167.174 |
| Synonyms: | trans-4-trifluormethyl-cyclohexyl-amine;4-Trifluormethylcyclohexylamin;4-trifluoromethyl-cyclohexylamine;trans-4-trifluoromethyl-cyclohexylamine; |
| Density: | 1.136 g/cm3 |
| Boiling Point: | 145.123 °C at 760 mmHg |
| Flash Point: | 51.986 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 26.02000 |
| LogP: | 2.76650 |
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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