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CAS No.: | 146669-29-6 |
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Name: | (RS)-MCPG |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C10H11NO4 |
Molecular Weight: | 209.202 |
Synonyms: | Benzeneaceticacid, a-amino-4-carboxy-a-methyl-, (?à)-;(RS)-a-Methyl-4-carboxyphenylglycine;4-(1-amino-1-carboxyethyl)benzoic acid;a-Methyl-4-carboxyphenylglycine;4-(1-Amino-1-carboxyethyl)benzoic acid;Benzeneacetic acid, α-amino-4-carboxy-α-methyl-; |
Density: | 1.39 g/cm3 |
Melting Point: | 95-98?°C(lit.) |
Boiling Point: | 425.3 °C at 760 mmHg |
Flash Point: | 211 °C |
PSA: | 100.62000 |
LogP: | 1.34360 |
The Benzeneacetic acid, a-amino-4-carboxy-a-methyl-, with the CAS registry number 146669-29-6, has the systematic name of 4-(1-amino-1-carboxyethyl)benzoic acid. It belongs to the product category of Glutamate. And the molecular formula of this chemical is C10H11NO4. In addition, it can be stored at room temperature. Besides, it is a Glutamate receptor antagonist.
The physical properties of Benzeneacetic acid, a-amino-4-carboxy-a-methyl- are as following: (1)ACD/LogP: 0.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.41; (4)ACD/LogD (pH 7.4): -2.53; (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: 55.84 Å2; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 52.03 cm3; (15)Molar Volume: 150.4 cm3; (16)Polarizability: 20.62×10-24cm3; (17)Surface Tension: 65.7 dyne/cm; (18)Density: 1.39 g/cm3; (19)Flash Point: 211 °C; (20)Enthalpy of Vaporization: 71.67 kJ/mol; (21)Boiling Point: 425.3 °C at 760 mmHg; (22)Vapour Pressure: 5.44E-08 mmHg at 25°C.
Preparation of Benzeneacetic acid, a-amino-4-carboxy-a-methyl-: This chemical can be prepared by 4-(4-methyl-2,5-dioxo-imidazolidin-4-yl)-benzonitrile. The reaction will need reagent aq. HCl. The reaction time is 8 days with temperature of 110°C, and the yield is about 99.1%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(N)(c1ccc(C(=O)O)cc1)C
(2)InChI: InChI=1/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)
(3)InChIKey: DNCAZYRLRMTVSF-UHFFFAOYAU