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921753-37-9

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Basic Information
CAS No.: 921753-37-9
Name: 2,2-difluorocyclohexanamine
Molecular Structure:
Molecular Structure of 921753-37-9 (2,2-difluorocyclohexanamine)
Formula: C6H11F2N
Molecular Weight: 135.15
Synonyms: cyclohexanamine, 2,2-difluoro-;LogP
Density: 1.086 g/cm3
Boiling Point: 141.186 °C at 760 mmHg
Flash Point: 40.311 °C
PSA: 26.02000
LogP: 2.22330
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Specification

The 2,2-Difluorocyclohexanamine, with the CAS registry number 921753-37-9, is also known as Cyclohexanamine, 2,2-difluoro-. This chemical's molecular formula is C6H11F2N and molecular weight is 135.15. What's more, its systematic name is called 2,2-Difluorocyclohexanamine.

Physical properties about 2,2-Difluorocyclohexanamine are: (1) ACD/LogP: 0.59; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 7.4): 0.451; (4) ACD/BCF (pH 5.5): 1; (5) ACD/BCF (pH 7.4): 1.204; (6) ACD/KOC (pH 5.5): 1.707; (7) ACD/KOC (pH 7.4): 36.409; (8) #H bond acceptors: 1; (9) #H bond donors: 2; (10) #Freely Rotating Bonds: 1; (11) Polar Surface Area: 26.02 Å2; (12) Index of Refraction: 1.422; (13) Molar Refractivity: 31.626 cm3; (14) Molar Volume: 124.491 cm3; (15) Surface Tension: 26.69 dyne/cm; (16) Density: 1.086 g/cm3; (17) Flash Point: 40.311 °C; (18) Enthalpy of Vaporization: 37.838 kJ/mol; (19) Boiling Point: 141.186 °C at 760 mmHg; (20) Vapour Pressure: 5.924 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C1CCC(C(C1)N)(F)F
(2) InChI: InChI=1/C6H11F2N/c7-6(8)4-2-1-3-5(6)9/h5H,1-4,9H2 InChIKey:
(3) KATJLSLKDKAWTG-UHFFFAOYAF