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
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