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Name |
Glycine, N-(4-methylbenzoyl)-, ethyl ester |
EINECS | N/A |
CAS No. | 122081-29-2 | Density | 1.111 g/cm3 |
PSA | 55.40000 | LogP | 1.67880 |
Solubility | N/A | Melting Point |
75-77 °C |
Formula | C12H15NO3 | Boiling Point | 381.4 °C at 760 mmHg |
Molecular Weight | 221.256 | Flash Point | 184.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N-(4-Methylbenzoyl)glycine ethyl ester; |
Article Data | 9 |
The Glycine, N-(4-methylbenzoyl)-, ethyl ester, with the CAS registry number 122081-29-2, is also known as Ethyl N-(4-methylbenzoyl)glycinate. This chemical's molecular formula is C12H15NO3 and molecular weight is 221.25. What's more, its IUPAC name is Ethyl 2-[(4-methylbenzoyl)amino]acetate.
Physical properties about Glycine, N-(4-methylbenzoyl)-, ethyl ester are: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.81; (4)ACD/LogD (pH 7.4): 1.81; (5)ACD/BCF (pH 5.5): 13.99; (6)ACD/BCF (pH 7.4): 13.99; (7)ACD/KOC (pH 5.5): 230.08; (8)ACD/KOC (pH 7.4): 230.08; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 60.37 cm3; (15)Molar Volume: 199 cm3; (16)Polarizability: 23.93×10-24 cm3; (17)Surface Tension: 40.4 dyne/cm; (18)Density: 1.111 g/cm3; (19)Flash Point: 184.5 °C; (20)Enthalpy of Vaporization: 62.97 kJ/mol; (21)Boiling Point: 381.4 °C at 760 mmHg; (22)Vapour Pressure: 5.08E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(cc1)C)NCC(=O)OCC
(2) InChI: InChI=1/C12H15NO3/c1-3-16-11(14)8-13-12(15)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,13,15)
(3) InChIKey: PQHQYXFXTGCTNZ-UHFFFAOYAU