CAS No.28462-19-3,2-[Ethyl(3-methylphenyl)amino]ethyl acetate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	28462-19-3
Name:	2-[Ethyl(3-methylphenyl)amino]ethyl acetate
Article Data:	2

Formula:	C₁₃H₁₉NO₂
Molecular Weight:	221.299
Synonyms:	Ethanol,2-(N-ethyl-m-toluidino)-, acetate (6CI);Ethanol,2-[ethyl(3-methylphenyl)amino]-, acetate (ester) (9CI);
EINECS:	249-035-5
Density:	1.037 g/cm³
Boiling Point:	327.3 °C at 760 mmHg
Flash Point:	118.6 °C
PSA:	29.54000
LogP:	2.38440

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Specification

The Ethanol,2-[ethyl(3-methylphenyl)amino]-, 1-acetate, with CAS registry number 28462-19-3, has the systematic name of 2-[ethyl(3-methylphenyl)amino]ethyl acetate. And its IUPAC name is 2-(N-ethyl-3-methylanilino)ethyl acetate. And the chemical formula of this chemical is C₁₃H₁₉NO₂. What's more, its EINECS is 249-035-5.

Physical properties of Ethanol,2-[ethyl(3-methylphenyl)amino]-, 1-acetate: (1)ACD/LogP: 3.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.74; (4)ACD/LogD (pH 7.4): 3.27; (5)ACD/BCF (pH 5.5): 53.16; (6)ACD/BCF (pH 7.4): 177.45; (7)ACD/KOC (pH 5.5): 420.93; (8)ACD/KOC (pH 7.4): 1405.15; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 65.69 cm³; (15)Molar Volume: 213.2 cm³; (16)Polarizability: 26.04×10^-24cm³; (17)Surface Tension: 38.4 dyne/cm; (18)Enthalpy of Vaporization: 56.96 kJ/mol; (19)Vapour Pressure: 0.000204 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCN(c1cc(ccc1)C)CC)C
(2)InChI: InChI=1/C13H19NO2/c1-4-14(8-9-16-12(3)15)13-7-5-6-11(2)10-13/h5-7,10H,4,8-9H2,1-3H3
(3)InChIKey: KMLMCHZWMDCYPI-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C13H19NO2/c1-4-14(8-9-16-12(3)15)13-7-5-6-11(2)10-13/h5-7,10H,4,8-9H2,1-3H3
(5)Std. InChIKey: KMLMCHZWMDCYPI-UHFFFAOYSA-N