Chemical Properties of Phenylalanine-N-carboxylic acid dimethyl ester (CAS 70288-75-4)

Phenylalanine-N-carboxylic acid dimethyl ester

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InChI
InChI=1S/C12H15NO4/c1-16-11(14)10(13-12(15)17-2)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,13,15)
InChI Key
JIHFRPSFLTXYEP-UHFFFAOYSA-N
Formula
C12H15NO4
SMILES
COC(=O)C(Cc1ccccc1)N=C(O)OC
Molecular Weight1
237.25
CAS
70288-75-4
Sources

Physical Properties

Property Value Unit Source
Δcsolid -6099.40 ± 5.90 kJ/mol NIST
Δfgas -516.58 kJ/mol Joback Calculated Property
Δfsolid -766.40 ± 5.90 kJ/mol NIST
Δvap 75.83 kJ/mol Joback Calculated Property
logPoct/wat 1.33 Crippen Calculated Property
Pc 2475.19 kPa Joback Calculated Property
Tboil 767.65 K Joback Calculated Property
Tc 979.00 K Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-CH3 2
-N= 1
=CH- (ring) 5
-OH (alcohol) 1
=C< (ring) 1
-CH2- 1
=C< 1
>C=O (nonring) 1

Similar Compounds

4-Benzyl-2,5-oxazolidinedione. L-Phenylalanine, N-acetyl-, methyl ester. Methyl 2-isothiocyanato-3-phenylpropionate. 2-Isothiocyanato-3-phenyl-propionic acid ethyl ester. DL-Phenylalanine, N-dimethylaminomethylene-, ethyl ester. l-Phenylalanine, N-(m-toluoyl)-, methyl ester. Phe isoBOC TBDMS. L-Tyrosine, N,O-bis(pivaloyl)-, methyl ester. DL-Phenylalanine. Phenylalanine. Tyr isoBOC TBDMS. Beta-phenylserine, ethyl ester. Tyrosine, 3,5-diiodo-, ethyl ester hydrochloride. Alanine, n-amino-3-phenyl-, dl-. Tyrosine.

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