Benzeneacetic acid, a-amino-a-butyl-, methyl ester, (aS)- (360074-85-7)

The 2-Amino-2-phenylhexanoic acid methyl ester, with cas registry number 360074-85-7, belongs to the following product categories: Indanone & Indene. It has the systematic name of Benzeneacetic acid, alpha-amino-alpha-butyl-, methyl ester. And its IUPAC name is methyl 2-amino-2-phenylhexanoate.

Physical properties about this chemical are: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.61; (4)ACD/LogD (pH 7.4): 2.94; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 7; (8)Polar Surface Area: 52.32 Å²; (9)Index of Refraction: 1.511; (10)Molar Refractivity: 63.84 cm³; (11)Molar Volume: 212.8 cm³; (12)Polarizability: 25.31×10^-24cm³; (13)Surface Tension: 38 dyne/cm; (14)Enthalpy of Vaporization: 54.72 kJ/mol; (15)Vapour Pressure: 0.000762 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: NC(CCCC)(C(=O)OC)c1ccccc1
(2)InChI: InChI=1/C13H19NO2/c1-3-4-10-13(14,12(15)16-2)11-8-6-5-7-9-11/h5-9H,3-4,10,14H2,1-2H3
(3)InChIKey: GTGCPCXBADEBNA-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C13H19NO2/c1-3-4-10-13(14,12(15)16-2)11-8-6-5-7-9-11/h5-9H,3-4,10,14H2,1-2H3
(5)Std. InChIKey: GTGCPCXBADEBNA-UHFFFAOYSA-N