2-Morpholineaceticacid, 4-(phenylmethyl)- (146944-27-6)

The (4-Benzylmorpholin-2-yl)acetic acid with the cas number 146944-27-6 is also called 2-Morpholineaceticacid, 4-(phenylmethyl)-. Both the systematic name and IUPAC name are 2-(4-benzylmorpholin-2-yl)acetic acid. Its molecular formula is C₁₃H₁₇NO₃. This chemical belongs to the following product categories: (1)Carboxylic Acids; (2)Morpholines & Thiomorpholines; (3)Carboxylic Acids; (4)Morpholines & Thiomorpholines.

The properties of the chemical are: (1)ACD/LogP: 1.08; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 49.77 Å²; (11)Index of Refraction: 1.553; (12)Molar Refractivity: 63.676 cm³; (13)Molar Volume: 199.059 cm³; (14)Polarizability: 25.243×10^-24cm³; (15)Surface Tension: 47.081 dyne/cm; (16)Enthalpy of Vaporization: 67.576 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)CN2CCOC(C2)CC(=O)O
(2)InChI: InChI=1/C13H17NO3/c15-13(16)8-12-10-14(6-7-17-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16)
(3)InChIKey: ZYXIOXNUKBMPQJ-UHFFFAOYAW