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| CAS No.: | 810659-05-3 |
|---|---|
| Name: | Cyclohexanemethanamine, 4,4-difluoro- |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C7H13F2N |
| Molecular Weight: | 149.184 |
| Synonyms: | (4,4-Difluorocyclohexyl)methanamine;1-(Aminomethyl)-4,4-difluorocyclohexane; |
| Density: | 1.05 g/cm3 |
| Boiling Point: | 170.7 °C at 760 mmHg |
| Flash Point: | 65.1 °C |
| PSA: | 26.02000 |
| LogP: | 2.47090 |
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Specification
The Cyclohexanemethanamine,4,4-difluoro-, with the CAS registry number 810659-05-3, is also known as (4,4-Difluorocyclohexyl)methanamine and 1-(Aminomethyl)-4,4-difluorocyclohexane. It belongs to the product categories of Drug Intermediates. This chemical's molecular formula is C7H13F2N and molecular weight is 149.1816. What's more, its IUPAC name is 1-(4,4-Difluorocyclohexyl)methanamine.
Physical properties about Cyclohexanemethanamine,4,4-difluoro- are: (1) ACD/LogP: 0.54; (2) # of Rule of 5 Violations: 0; (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): 1; (7) #H bond acceptors: 1; (8) #H bond donors: 2; (9) #Freely Rotating Bonds: 2; (10) Index of Refraction: 1.427; (11) Molar Refractivity: 36.25 cm3; (12) Molar Volume: 141 cm3; (13) Polarizability: 14.37×10-24 cm3; (14) Surface Tension: 27.5 dyne/cm; (15) Density: 1.05 g/cm3; (16) Flash Point: 65.1 °C; (17) Enthalpy of Vaporization: 40.71 kJ/mol; (18) Boiling Point: 170.7 °C at 760 mmHg; (19) Vapour Pressure: 1.45 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: FC1(F)CCC(CN)CC1
(2) InChI: InChI=1/C7H13F2N/c8-7(9)3-1-6(5-10)2-4-7/h6H,1-5,10H2
(3) InChIKey: XAAFYIOYLLPWMM-UHFFFAOYAM