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2647-14-5

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Basic Information
CAS No.: 2647-14-5
Name: CHLORIDE STANDARD
Molecular Structure:
Molecular Structure of 2647-14-5 (CHLORIDE STANDARD)
Formula: C14H18F2N2O
Molecular Weight: 268.3
Synonyms: Propionitrile,2-[[o-ethyl-N-(2-hydroxyethyl)anilino]methyl]-3,3-difluoro- (8CI);
EINECS: 231-598-3
Density: 1.172 g/cm3
Boiling Point: 414.5 °C at 760 mmHg
Flash Point: 204.5 °C
Hazard Symbols: C
Risk Codes: 10-20/21/22-34
Safety: 16-24-26-36/37/39-45
PSA: 47.26000
LogP: 2.45258
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  • Propanenitrile,2-[[(2-ethylphenyl)(2-hydroxyethyl)amino]methyl]-3,3-difluoro-

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    Propanenitrile,2-[[(2-ethylphenyl)(2-hydroxyethyl)amino]methyl]-3,3-difluoro-

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    CHLORIDE STANDARD

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Specification

The CAS register number of Propanenitrile,2-[[(2-ethylphenyl)(2-hydroxyethyl)amino]methyl]-3,3-difluoro- is 2647-14-5. The systematic name about this chemical is 2-[[2-ethyl-N-(2-hydroxyethyl)anilino]methyl]-3,3-difluoro-propanenitrile. The molecular formula about this chemical is C14H18F2N2O and the molecular weight is 268.3.

Physical properties about Propanenitrile,2-[[(2-ethylphenyl)(2-hydroxyethyl)amino]methyl]-3,3-difluoro- are: (1)ACD/LogP: 2.72; (2)ACD/LogD (pH 5.5): 2.71; (3)ACD/LogD (pH 7.4): 2.72; (4)ACD/BCF (pH 5.5): 67.29; (5)ACD/BCF (pH 7.4): 68.21; (6)ACD/KOC (pH 5.5): 705.29; (7)ACD/KOC (pH 7.4): 714.93; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 47.26 Å2; (12)Index of Refraction: 1.526; (13)Molar Refractivity: 70.34 cm3; (14)Molar Volume: 228.8 cm3; (15)Polarizability: 27.88x10-24cm3; (16)Surface Tension: 42.3 dyne/cm; (17)Density: 1.172 g/cm3; (18)Flash Point: 204.5 °C; (19)Enthalpy of Vaporization: 70.37 kJ/mol; (20)Boiling Point: 414.5 °C at 760 mmHg; (21)Vapour Pressure: 1.3E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCc1ccccc1N(CCO)CC(C#N)C(F)F
(2)InChI: InChI=1/C14H18F2N2O/c1-2-11-5-3-4-6-13(11)18(7-8-19)10-12(9-17)14(15)16/h3-6,12,14,19H,2,7-8,10H2,1H3
(3)InChIKey: GVSNPAKERJPRBH-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C14H18F2N2O/c1-2-11-5-3-4-6-13(11)18(7-8-19)10-12(9-17)14(15)16/h3-6,12,14,19H,2,7-8,10H2,1H3
(5)Std. InChIKey: GVSNPAKERJPRBH-UHFFFAOYSA-N