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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 | Hazard Symbols | N/A | |
Synonyms |
Phenylpropionylglycine; |
Article Data | 5 |
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