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458566-84-2

Basic Information
CAS No.: 458566-84-2
Name: 4,4-Difluorocyclohexanamine
Article Data: 6
Cas Database
Molecular Structure:
Molecular Structure of 458566-84-2 (4,4-Difluorocyclohexanamine)
Formula: C6H11F2N

Molecular Weight: 135.157
Synonyms: Cyclohexanamine, 4, 4-difluoro-;
EINECS: N/A
Density: 1.08 g/cm3
Melting Point: N/A
Boiling Point: 141.2 °C at 760 mmHg
Flash Point: 41.9 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: Xn
Risk Codes: 22
Safety:
Transport Information: N/A
PSA: 26.02000
LogP: 2.22330
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Specification

The 4, 4-Difluorocyclohexanamine, with the CAS registry number of 458566-84-2, is also known as Cyclohexanamine, 4, 4-difluoro-. It belongs to the product category of Pharmaceutical Intermediate. This chemical's molecular formula is C6H11F2N and molecular weight is 135.155. What's more, its systematic name is called 4, 4-Difluorocyclohexanamine.

Physical properties about 4, 4-Difluorocyclohexanamine are: (1)ACD/LogP: 0.48; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 3.24 Å2; (7)Index of Refraction: 1.421; (8)Molar Refractivity: 31.62 cm3; (9)Molar Volume: 124.4 cm3; (10)Surface Tension: 26.6 dyne/cm; (11)Density: 1.08 g/cm3; (12)Flash Point: 41.9 °C; (13)Enthalpy of Vaporization: 37.84 kJ/mol; (14)Boiling Point: 141.2 °C at 760 mmHg; (15)Vapour Pressure: 5.92 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC1(F)CCC(N)CC1
(2) InChI: InChI=1/C6H11F2N/c7-6(8)3-1-5(9)2-4-6/h5H,1-4,9H2
(3) InChIKey: MQOFXVWAFFJFJH-UHFFFAOYAC