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605659-03-8

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Basic Information
CAS No.: 605659-03-8
Name: 4,4-DIFLUOROAMINOETHYLPIPERIDINE
Article Data: 6
Molecular Structure:
Molecular Structure of 605659-03-8 (4,4-DIFLUOROAMINOETHYLPIPERIDINE)
Formula: C7H14F2N2
Molecular Weight: 164.198
Synonyms: 4,4-Difluoroaminoethylpiperidine;2-(4,4-Difluoropiperidin-1-yl)ethanamine;
Density: 1.11 g/cm3
Boiling Point: 196.5 °C at 760 mmHg
Flash Point: 72.6 °C
PSA: 29.26000
LogP: 1.31440
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Specification

The 1-Piperidineethanamine,4,4-difluoro-, with the CAS registry number 605659-03-8, is also known as 4,4-Difluoroaminoethylpiperidine. It belongs to the product categories of Piperidine; Aminetertiary; Halide. The molecular formula of this chemical is C7H14F2N2 and molecular weight is 164.20. What's more, its systematic name is 2-(4,4-Difluoropiperidin-1-yl)ethanamine. 

Physical properties of 1-Piperidineethanamine,4,4-difluoro- are: (1)ACD/LogP: -0.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.62; (4)ACD/LogD (pH 7.4): -2.95; (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: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.458; (14)Molar Refractivity: 40.16 cm3; (15)Molar Volume: 147.1 cm3; (16)Polarizability: 15.92×10-24 cm3; (17)Surface Tension: 32.5 dyne/cm; (18)Density: 1.11 g/cm3; (19)Flash Point: 72.6 °C; (20)Enthalpy of Vaporization: 43.27 kJ/mol; (21)Boiling Point: 196.5 °C at 760 mmHg; (22)Vapour Pressure: 0.398 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN(CCC1(F)F)CCN
(2)InChI: InChI=1S/C7H14F2N2/c8-7(9)1-4-11(5-2-7)6-3-10/h1-6,10H2
(3)InChIKey: BVYNFUYPUXPMCI-UHFFFAOYSA-N