Glycine,N-(3,4-dimethylbenzoyl)- supplier

Name
3,4-DIMETHYLHIPPURIC ACID
EINECS
CAS No. 23082-12-4
Density 1.194 g/cm³
Solubility
Melting Point 160 °C
Formula C₁₁H₁₃NO₃
Boiling Point 406.2 °C at 760 mmHg
Molecular Weight 207.23
Flash Point 199.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-(3, 4-Dimethylbenzoyl)glycine;
PSA 66.40000
LogP 1.50870

Glycine,N-(3,4-dimethylbenzoyl)- Specification

The Glycine, N-(3, 4-dimethylbenzoyl)-, with the CAS registry number 23082-12-4, is also known as N-(3, 4-Dimethylbenzoyl)glycine. This chemical's molecular formula is C₁₁H₁₃NO₃ and molecular weight is 207.23. What's more, its IUPAC name is 2-[(3, 4-Dimethylbenzoyl)amino]acetic acid. In addition, it is a metabolite of pseudocumene in urine.

Physical properties about Glycine, N-(3, 4-dimethylbenzoyl)- are: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.94; (4)ACD/LogD (pH 7.4): -2.35; (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: 3; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 55.72 cm³; (15)Molar Volume: 173.4 cm³; (16)Polarizability: 22.09×10^-24 cm³; (17)Surface Tension: 48.2 dyne/cm; (18)Density: 1.194 g/cm³; (19)Flash Point: 199.4 °C; (20)Enthalpy of Vaporization: 69.37 kJ/mol; (21)Boiling Point: 406.2 °C at 760 mmHg; (22)Vapour Pressure: 2.51E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CNC(=O)c1cc(c(cc1)C)C
(2) InChI: InChI=1/C11H13NO3/c1-7-3-4-9(5-8(7)2)11(15)12-6-10(13)14/h3-5H,6H2,1-2H3,(H,12,15)(H,13,14)
(3) InChIKey: ZDHXVMSVUHHHAE-UHFFFAOYAO

Product Name

3,4-DIMETHYLHIPPURIC ACID

Glycine,N-(3,4-dimethylbenzoyl)- Specification

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