Chemical Properties of Aspartic acid, N-acetyl-, diethyl ester, L- (CAS 1069-39-2)

Aspartic acid, N-acetyl-, diethyl ester, L-

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InChI
InChI=1S/C10H17NO5/c1-4-15-9(13)6-8(11-7(3)12)10(14)16-5-2/h8H,4-6H2,1-3H3,(H,11,12)
InChI Key
XQGDGRNHLJLQOV-UHFFFAOYSA-N
Formula
C10H17NO5
SMILES
CCOC(=O)CC(N=C(C)O)C(=O)OCC
Molecular Weight1
231.25
CAS
1069-39-2
Other Names
  • (l) N-acetylaspartic acid, diethyl ester
Sources

Physical Properties

Property Value Unit Source
Δfgas -824.41 kJ/mol Joback Calculated Property
Δvap 75.85 kJ/mol Joback Calculated Property
logPoct/wat 0.85 Crippen Calculated Property
Pc 2298.11 kPa Joback Calculated Property
Tboil 749.08 K Joback Calculated Property
Tc 941.73 K Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
=C< 1
-N= 1
>C=O (nonring) 2
-OH (alcohol) 1
-CH2- 3
-CH3 3

Similar Compounds

Diethyl isocyanato succinate. L-Homoserine lactone, N-acetyl-. 2-Isothiocyanato-succinic acid diethyl ester. Phenyl 1,2-dicarbethoxyethylcarbamate. 2-Pyrrolidinecarboxylic acid-5-oxo-, ethyl ester. L-Homoserine lactone, N-trifluoroacetyl-. L-Valine, N-(5-chlorovaleryl)-, nonyl ester. L-Valine, N-(3-cyclopentylpropionyl)-, pentyl ester. L-Valine, N-(3-cyclopentylpropionyl)-, isohexyl ester. L-Valine, N-(3-cyclopentylpropionyl)-, hexyl ester. L-Valine, N-(3-cyclopentylpropionyl)-, dodecyl ester. L-Valine, N-(3-cyclopentylpropionyl)-, pentadecyl ester. L-Valine, N-(3-cyclopentylpropionyl)-, undecyl ester. Dimethyl isothiocyanatosuccinate. L-Valine, N-(3-methylbut-2-enoyl)-, pentyl ester.

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