1-(Phenylmethyl)-2-azetidinecarboxylic acid ethyl ester (54773-11-4)

The 1-(Phenylmethyl)-2-azetidinecarboxylic acid ethyl ester, with the CAS registry number 54773-11-4, has the molecular formula C₁₃H₁₇NO₂. In addition, its molecular weight is 219.28. This chemical's systematic name is called ethyl 1-benzylazetidine-2-carboxylate.

Physical properties about 1-(Phenylmethyl)-2-azetidinecarboxylic acid ethyl ester are: (1)ACD/LogP: 1.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 7; (7)ACD/KOC (pH 5.5): 2; (8)ACD/KOC (pH 7.4): 101; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.552; (13)Molar Refractivity: 62.152 cm³; (14)Molar Volume: 194.461 cm³; (15)Surface Tension: 45.268 dyne/cm; (16)Density: 1.128 g/cm³; (17)Flash Point: 103.735 °C; (18)Enthalpy of Vaporization: 52.949 kJ/mol; (19)Boiling Point: 290.141 °C at 760 mmHg; (20)Vapour Pressure: 0.002 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)C2CCN2Cc1ccccc1
(2)InChI: InChI=1/C13H17NO2/c1-2-16-13(15)12-8-9-14(12)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
(3)InChIKey: MDWJXMWPDZPGEC-UHFFFAOYAK