Acetic acid,2-[hydroxy(4-phenylbutyl)phosphinyl]-, 1-(phenylmethyl) ester

The Benzyl hydroxy(4-phenylbutyl)phosphinoylacetate, with the CAS registry number 87460-09-1 and EINECS registry number 416-050-5, has the systematic name of Acetic acid, 2-[hydroxy(4-phenylbutyl)phosphinyl]-, phenylmethyl ester. It belongs to the product categories of API intermediates and intermediate of fosinopril. And the molecular formula of the chemical is C₁₉H₂₃O₄P.

The characteristics of Benzyl hydroxy(4-phenylbutyl)phosphinoylacetate are as followings: (1)ACD/LogP: 4.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.17 ; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 10; (8)Polar Surface Area: 73.41 Å²; (9)Index of Refraction: 1.557; (10)Molar Refractivity: 93.63 cm³; (11)Molar Volume: 290.6 cm³; (12)Polarizability: 37.12×10^-24cm³; (13)Surface Tension: 48.8 dyne/cm; (14)Density: 1.191 g/cm³; (15)Flash Point: 305.5 °C; (16)Enthalpy of Vaporization: 91.48 kJ/mol; (17)Boiling Point: 581.6 °C at 760 mmHg; (18)Vapour Pressure: 2.28E-14 mmHg at 25°C.

You should be cautious while dealing with this chemical. It has risk of serious damage to eyes. Therefore, you had better take the following instructions: Wear suitable protective clothing and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=P(O)(CCCCc1ccccc1)CC(=O)OCc2ccccc2
(2)InChI: InChI=1/C19H23O4P/c20-19(23-15-18-12-5-2-6-13-18)16-24(21,22)14-8-7-11-17-9-3-1-4-10-17/h1-6,9-10,12-13H,7-8,11,14-16H2,(H,21,22)
(3)InChIKey: GVDMCYBWLREELG-UHFFFAOYAD