Benzeneacetic acid, a-amino-4-carboxy-a-methyl- supplier

Name
(RS)-MCPG
EINECS
CAS No. 146669-29-6
Article Data1
CAS DataBase
Density 1.39 g/cm³
Solubility
Melting Point 95-98?°C(lit.)
Formula C₁₀H₁₁NO₄
Boiling Point 425.3 °C at 760 mmHg
Molecular Weight 209.202
Flash Point 211 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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-;
PSA 100.62000
LogP 1.34360

Benzeneacetic acid, a-amino-4-carboxy-a-methyl- Specification

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%.

Benzeneacetic acid, a-amino-4-carboxy-a-methyl- can be prepared by 4-(4-methyl-2,5-dioxo-imidazolidin-4-yl)-benzonitrile

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

Product Name

(RS)-MCPG

Benzeneacetic acid, a-amino-4-carboxy-a-methyl- Specification

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