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

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

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

Product Name

CHLORIDE STANDARD

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

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