Aspartic acid, 1-methylester supplier

Name
H-DL-ASP-OME
EINECS
CAS No. 65414-77-9
Article Data1
CAS DataBase
Density 1.299 g/cm³
Solubility
Melting Point
Formula C₅H₉NO₄
Boiling Point 272.7 °C at 760 mmHg
Molecular Weight 147.131
Flash Point 118.7 °C
Transport Information
Appearance
Safety 36/37
Risk Codes 43
Molecular Structure
Hazard Symbols Xi
Synonyms DL-Asparticacid, 1-methyl ester;DL-Aspartic acid methyl ester;NSC 120023;
PSA 89.62000
LogP -0.33830

Aspartic acid, 1-methylester Specification

The Aspartic acid, 1-methylester is an organic compound with the formula C₅H₉NO₄. The IUPAC name of this chemical is 3-amino-4-methoxy-4-oxobutanoic acid. With the CAS registry number 65414-77-9, it is also named as aspartic acid methyl ester.

Physical properties about Aspartic acid, 1-methylester are: (1)ACD/LogP: -0.56; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 55.84 Å²; (10)Index of Refraction: 1.477; (11)Molar Refractivity: 32.04 cm³; (12)Molar Volume: 113.2 cm³; (13)Polarizability: 12.7×10^-24cm³; (14)Surface Tension: 51.9 dyne/cm; (15)Density: 1.299 g/cm³; (16)Flash Point: 118.7 °C; (17)Enthalpy of Vaporization: 56.24 kJ/mol; (18)Boiling Point: 272.7 °C at 760 mmHg; (19)Vapour Pressure: 0.00166 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-benzyl-5-oxo-isoxazolidine-3-carboxylic acid methyl ester. This reaction will need reagent H₂, Pd/C and solvent dioxane, H₂O. The reaction time is 16 hours with reaction temperature of 60 °C. The yield is about 95%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC(N)C(=O)OC
(2)InChI: InChI=1/C5H9NO4/c1-10-5(9)3(6)2-4(7)8/h3H,2,6H2,1H3,(H,7,8)
(3)InChIKey: SWWBMHIMADRNIK-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C5H9NO4/c1-10-5(9)3(6)2-4(7)8/h3H,2,6H2,1H3,(H,7,8)
(5)Std. InChIKey: SWWBMHIMADRNIK-UHFFFAOYSA-N

Product Name

H-DL-ASP-OME

Aspartic acid, 1-methylester Specification

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