CAS No.21615-36-1,2,2'-((3-Methylphenyl)imino)bisethyl diacetate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	21615-36-1
Name:	2,2'-((3-Methylphenyl)imino)bisethyl diacetate

Formula:	C₁₅H₂₁NO₄
Molecular Weight:	279.33
Synonyms:	Ethanol,2,2'-(m-tolylimino)di-, diacetate (6CI);Ethanol, 2,2'-(m-tolylimino)di-,diacetate (ester) (8CI);Ethanol, 2,2'-[(3-methylphenyl)imino]bis-, diacetate(ester) (9CI);N,N-Bis(2-acetoxyethyl)-3-methylaniline;N,N-Bis(2-acetoxyethyl)-m-toluidine;N,N-Bis(2-hydroxyethyl)-3-methylanilinediacetate;N,N-Bis(acetoxyethyl)-m-toluidine;N,N-Di(b-acetoxyethyl)-m-toluidine;
EINECS:	244-478-0
Density:	1.119 g/cm³
Boiling Point:	389.317 °C at 760 mmHg
Flash Point:	189.252 °C
Appearance:	brown acid solution
PSA:	55.84000
LogP:	1.92760

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Specification

The Ethanol,2,2'-[(3-methylphenyl)imino]bis-, 1,1'-diacetate, with CAS registry number 21615-36-1, has the systematic name of [(3-methylphenyl)imino]diethane-2,1-diyl diacetate. And its IUPAC name is 2-[N-(2-acetyloxyethyl)-3-methylanilino]ethyl acetate. And the chemical formula of this chemical is C₁₅H₂₁NO₄. What's more, its EINECS is 244-478-0.

Physical properties of Ethanol,2,2'-[(3-methylphenyl)imino]bis-, 1,1'-diacetate: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.6; (4)ACD/LogD (pH 7.4): 2.71; (5)ACD/BCF (pH 5.5): 52.71; (6)ACD/BCF (pH 7.4): 67.14; (7)ACD/KOC (pH 5.5): 554.39; (8)ACD/KOC (pH 7.4): 706.19; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 76.73 cm³; (15)Molar Volume: 249.7 cm³; (16)Polarizability: 30.42×10^-24cm³; (17)Surface Tension: 41.8 dyne/cm; (18)Enthalpy of Vaporization: 63.86 kJ/mol; (19)Vapour Pressure: 2.88E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCN(c1cc(ccc1)C)CCOC(=O)C)C
(2)InChI: InChI=1/C15H21NO4/c1-12-5-4-6-15(11-12)16(7-9-19-13(2)17)8-10-20-14(3)18/h4-6,11H,7-10H2,1-3H3
(3)InChIKey: AHLUBQCOAONRMZ-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C15H21NO4/c1-12-5-4-6-15(11-12)16(7-9-19-13(2)17)8-10-20-14(3)18/h4-6,11H,7-10H2,1-3H3
(5)Std. InChIKey: AHLUBQCOAONRMZ-UHFFFAOYSA-N