Glycine,N-(4-aminobenzoyl)-, methyl ester supplier

Name
METHYL [(4-AMINOBENZOYL)AMINO]ACETATE HYDROCHLORIDE
EINECS
CAS No. 5259-86-9
Article Data6
CAS DataBase
Density 1.235 g/cm³
Solubility
Melting Point 130-131 °C
Formula C₁₀H₁₂N₂O₃
Boiling Point 431.5 °C at 760 mmHg
Molecular Weight 208.217
Flash Point 214.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Hippuricacid, p-amino-, methyl ester (7CI,8CI);4'-Aminohippuric acid methyl ester;Methyl p-aminohippurate;N-(4-Aminobenzoyl)glycine methyl ester;[(4-Aminobenzoyl)amino]acetic acid methyl ester;
PSA 81.42000
LogP 1.94570

Glycine,N-(4-aminobenzoyl)-, methyl ester Specification

The Glycine, N-(4-aminobenzoyl)-, methyl ester, with the CAS registry number 5259-86-9, is also known as N-(4-Aminobenzoyl)glycine methyl ester. This chemical's molecular formula is C₁₀H₁₂N₂O₃ and molecular weight is 208.2139. What's more, its IUPAC name is Methyl 2-[(4-aminobenzoyl)amino]acetate.

Physical properties about Glycine, N-(4-aminobenzoyl)-, methyl ester are: (1)ACD/LogP: -0.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.07; (4)ACD/LogD (pH 7.4): -0.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 21.87; (8)ACD/KOC (pH 7.4): 21.89; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 49.85 Å²; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 55.15 cm³; (15)Molar Volume: 168.5 cm³; (16)Polarizability: 21.86×10^-24 cm³; (17)Surface Tension: 51 dyne/cm; (18)Density: 1.235 g/cm³; (19)Flash Point: 214.8 °C; (20)Enthalpy of Vaporization: 68.71 kJ/mol; (21)Boiling Point: 431.5 °C at 760 mmHg; (22)Vapour Pressure: 1.19E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(N)cc1)NCC(=O)OC
(2) InChI: InChI=1/C10H12N2O3/c1-15-9(13)6-12-10(14)7-2-4-8(11)5-3-7/h2-5H,6,11H2,1H3,(H,12,14)
(3) InChIKey: AHFZNHPVGUTXIH-UHFFFAOYAN

Product Name

METHYL [(4-AMINOBENZOYL)AMINO]ACETATE HYDROCHLORIDE

Glycine,N-(4-aminobenzoyl)-, methyl ester Specification

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