4-AMINOHIPPURIC ACID

The Glycine, N-(4-aminobenzoyl)-, with the CAS registry number of 61-78-9, is also known as N-(4-Aminobenzoyl)-glycin and (4-Amino-benzoylamino)-acetic acid. It belongs to the product category of Amino Acids. Its EINECS registry number is 200-518-9. This chemical's molecular formula is C₉H₁₀N₂O₃ and molecular weight is 194.19. What's more, its IUPAC name is 2-[(4-Aminobenzoyl)amino]acetic acid. This chemical's classification codes are Component of Aminohippurate Sodium [Injection]; Indicators and Reagents. It is a derivative of hippuric acid, is a diagnostic agent useful in medical tests involving the kidney used in the measurement of renal plasma flow. Besides, it is an amide derivative of the Amino acid glycine and para-Aminobenzoic acid. In addition, it must be stored in airtight containers at -20 °C and avoid contact with light.

Physical properties about Glycine, N-(4-aminobenzoyl)- are: (1)ACD/LogP: -0.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.64; (4)ACD/LogD (pH 7.4): -4.12; (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: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 49.85 Å²; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 50.3 cm³; (15)Molar Volume: 143.1 cm³; (16)Polarizability: 19.94×10^-24 cm³; (17)Surface Tension: 65.8 dyne/cm; (18)Density: 1.356 g/cm³; (19)Flash Point: 266.6 °C; (20)Enthalpy of Vaporization: 83.11 kJ/mol; (21)Boiling Point: 517.2 °C at 760 mmHg; (22)Vapour Pressure: 1.6E-11 mmHg at 25 °C; (23)Melting Point: 199-200 °C (dec. )(lit. ).

Uses: (1)it is useful for the measurement of renal plasma flow; (2)it can be used as pharmaceuticals; (3)it is used to produce other chemicals. For example, it is used to produce Methyl N-(4-aminobenzoyl)glycinate hydrochloride. This reaction needs reagent SOCl₂. Other condition of this reaction is reaction time of 22 hours at -10 to -20 °C. The yield is about 98 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(N)cc1)NCC(=O)O
(2) InChI: InChI=1/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)
(3) InChIKey: HSMNQINEKMPTIC-UHFFFAOYAW