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Name |
Glycine, N-(3-methylbenzoyl)- |
EINECS | N/A |
CAS No. | 27115-49-7 | Density | 1.229 g/cm3 |
PSA | 66.40000 | LogP | 1.20030 |
Solubility | N/A | Melting Point |
138-140 °C |
Formula | C10H11NO3 | Boiling Point | 418.5 °C at 760 mmHg |
Molecular Weight | 193.202 | Flash Point | 206.9 °C |
Transport Information | N/A | Appearance | White solid. |
Safety | 37/39-26 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Hippuricacid, 3-methyl- (7CI);Hippuric acid, m-methyl- (6CI,8CI);3-Methylbenzoylglycine;3-Methylhippuric acid;N-(3-Methylbenzoyl)glycine;NSC201735;m-Methylhippuric acid;m-Toluric acid; |
Article Data | 9 |
The Glycine, N-(3-methylbenzoyl)-, with the CAS registry number of 27115-49-7, is also known as 3-Methylhippuric acid. This chemical's molecular formula is C10H11NO3 and molecular weight is 193.2. What's more, its IUPAC name is 2-[(3-Methylbenzoyl)amino]acetic acid, its systematic name is N-(3-Methylbenzoyl)glycine.
Physical properties about Glycine, N-(3-methylbenzoyl)- are: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.4; (4)ACD/LogD (pH 7.4): -2.81; (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: 1.56; (14)Molar Refractivity: 50.89 cm3; (15)Molar Volume: 157.1 cm3; (16)Polarizability: 20.17×10-24 cm3; (17)Surface Tension: 50.7 dyne/cm; (18)Density: 1.229 g/cm3; (19)Flash Point: 206.9 °C; (20)Enthalpy of Vaporization: 70.86 kJ/mol; (21)Boiling Point: 418.5 °C at 760 mmHg; (22)Vapour Pressure: 9.41E-08 mmHg at 25 °C.
Uses of Glycine, N-(3-methylbenzoyl)-: it is used to produce other chemicals. For example, it is used to produce 4-(3-Methyl-benzylidene)-2-p-tolyl-4H-oxazol-5-one. This reaction needs reagents KHCO3 and Acetic anhydride. The yield is about 69 %.
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 may cause inflammation to the skin or other mucous membranes. During using it, wear suitable 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(c1cc(ccc1)C)NCC(=O)O
(2) InChI: InChI=1/C10H11NO3/c1-7-3-2-4-8(5-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
(3) InChIKey: YKAKNMHEIJUKEX-UHFFFAOYAV