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

Name
2-[(3-Oxo-3-phenyl-propyl)amino]acetic acid
EINECS
CAS No. 56613-60-6
Article Data5
CAS DataBase
Density 1.202g/cm³
Solubility
Melting Point 118℃
Formula C₁₁H₁₃NO₃
Boiling Point 480 °C at 760 mmHg
Molecular Weight 207.229
Flash Point 244.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Phenylpropionylglycine;
PSA 69.89000
LogP 1.66030

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

Product Name

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

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

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