Alanine, N-(ethoxycarbonyl)-2-methyl- supplier

Name
2-(ethoxycarbonylamino)-2-methyl-propanoic acid
EINECS
CAS No. 91613-84-2
Density 1.159 g/cm³
Solubility
Melting Point
Formula C₇H₁₃NO₄
Boiling Point 315.9 °C at 760 mmHg
Molecular Weight 175.185
Flash Point 144.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC75807;
PSA 75.63000
LogP 0.98660

Alanine, N-(ethoxycarbonyl)-2-methyl- Specification

This chemical is called Alanine, N-(ethoxycarbonyl)-2-methyl-, and its systematic name is N-(ethoxycarbonyl)-2-methylalanine. With the molecular formula of C₇H₁₃NO₄, its molecular weight is 175.18. The CAS registry number of this chemical is 91613-84-2.

Other characteristics of the Alanine, N-(ethoxycarbonyl)-2-methyl- can be summarised as followings: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 55.84 Å²; (7)Index of Refraction: 1.46; (8)Molar Refractivity: 41.37 cm³; (9)Molar Volume: 151 cm³; (10)Polarizability: 16.4×10^-24cm³; (11)Surface Tension: 40.1 dyne/cm; (12)Density: 1.159 g/cm³; (13)Flash Point: 144.9 °C; (14)Enthalpy of Vaporization: 61.27 kJ/mol; (15)Boiling Point: 315.9 °C at 760 mmHg; (16)Vapour Pressure: 9.08E-05 mmHg at 25°C.

Uses of this chemical: The (Eoc-Aib)2O could be obtained by the reactant of Alanine, N-(ethoxycarbonyl)-2-methyl-. This reaction needs the reagent of EDC, and the solvent of CH₂Cl₂. The yield is 68 %. This reaction should be taken for 2 hours at the temperature of 23 °C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)C(NC(=O)OCC)(C)C
2.InChI: InChI=1/C7H13NO4/c1-4-12-6(11)8-7(2,3)5(9)10/h4H2,1-3H3,(H,8,11)(H,9,10)
3.InChIKey: DVUNOMVPJHWGND-UHFFFAOYAQ

Product Name

2-(ethoxycarbonylamino)-2-methyl-propanoic acid

Alanine, N-(ethoxycarbonyl)-2-methyl- Specification

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