The (4-Benzylmorpholin-2-yl)acetic acid ethyl ester with the cas number 73933-19-4 is also called 2-Morpholineaceticacid, 4-(phenylmethyl)-, ethyl ester. Both the systematic name and IUPAC name are ethyl 2-(4-benzylmorpholin-2-yl)acetate. Its molecular formula is C15H21NO3.
The properties of the chemical are: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.623; (4)ACD/LogD (pH 7.4): 1.413; (5)ACD/BCF (pH 5.5): 1.113; (6)ACD/BCF (pH 7.4): 6.871; (7)ACD/KOC (pH 5.5): 21.963; (8)ACD/KOC (pH 7.4): 135.611; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 73.152 cm3; (15)Molar Volume: 240.929 cm3; (16)Polarizability: 29×10-24cm3; (17)Surface Tension: 39.735 dyne/cm; (18)Enthalpy of Vaporization: 59.36 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)CC1CN(CCO1)Cc2ccccc2
(2)InChI: InChI=1/C15H21NO3/c1-2-18-15(17)10-14-12-16(8-9-19-14)11-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3
(3)InChIKey: WZFOBUJYPANZMG-UHFFFAOYAK
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