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2-[(3-Oxo-3-phenyl-propyl)amino]acetic acid

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Name

2-[(3-Oxo-3-phenyl-propyl)amino]acetic acid

EINECS N/A
CAS No. 56613-60-6 Density 1.202g/cm3
PSA 69.89000 LogP 1.66030
Solubility N/A Melting Point 118℃
Formula C11H13NO3 Boiling Point 480 °C at 760 mmHg
Molecular Weight 207.229 Flash Point 244.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 56613-60-6 (2-[(3-Oxo-3-phenyl-propyl)amino]acetic acid) Hazard Symbols N/A
Synonyms

Phenylpropionylglycine;

Article Data 5

2-[(3-Oxo-3-phenyl-propyl)amino]acetic acid Specification

The 2-[(3-Oxo-3-phenyl-propyl)amino]acetic acid, with CAS registry number 56613-60-6, has the systematic name of N-(3-phenylpropanoyl)glycine. Besides this, it is also called Phenylpropionylglycine. Its molecular weight is 207.2258. And the chemical formula of this chemical is C11H13NO3.

Physical properties of 2-[(3-Oxo-3-phenyl-propyl)amino]acetic acid: (1)ACD/LogP: 0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.44; (4)ACD/LogD (pH 7.4): -2.87; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 54.88 cm3; (15)Molar Volume: 172.3 cm3; (16)Polarizability: 21.75×10-24cm3; (17)Surface Tension: 49.9 dyne/cm; (18)Density: 1.202 g/cm3; (19)Flash Point: 244.1 °C; (20)Enthalpy of Vaporization: 78.41 kJ/mol; (21)Boiling Point: 480 °C at 760 mmHg; (22)Vapour Pressure: 5.06E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CNC(=O)CCc1ccccc1
(2)InChI: InChI=1/C11H13NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)(H,14,15)
(3)InChIKey: YEIQSAXUPKPPBN-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C11H13NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)(H,14,15)
(5)Std. InChIKey: YEIQSAXUPKPPBN-UHFFFAOYSA-N

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