Chemical Properties of L-Phenylalanine, N-acetyl-, methyl ester (CAS 3618-96-0)

L-Phenylalanine, N-acetyl-, methyl ester

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InChI
InChI=1S/C12H15NO3/c1-9(14)13-11(12(15)16-2)8-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,13,14)/t11-/m0/s1
InChI Key
IKGHIFGXPVLPFD-NSHDSACASA-N
Formula
C12H15NO3
SMILES
COC(=O)C(Cc1ccccc1)N=C(C)O
Molecular Weight1
221.25
CAS
3618-96-0
Other Names
  • (S)-N-Acetyl-3-phenylalanine methyl ester
  • Acetyl-L-phenylalanine methyl ester
  • Alanine, N-acetyl-3-phenyl-, methyl ester, L-
  • Methyl (S)-2-(acetylamino)-3-phenylpropanoate
  • Methyl N-acetyl-L-phenylalaninate
  • Methyl N-acetylphenylalaninate
  • N-Acetyl-L-phenylalanine methyl ester
  • N-Acetylphenylalanine methyl ester
Sources

Physical Properties

Property Value Unit Source
Δfgas -384.36 kJ/mol Joback Calculated Property
Δvap 73.42 kJ/mol Joback Calculated Property
logPoct/wat 1.75 Crippen Calculated Property
Pc 2517.59 kPa Joback Calculated Property
Tboil 745.23 K Joback Calculated Property
Tc 958.17 K Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Phenylalanine-N-carboxylic acid dimethyl ester. Methyl 2-isothiocyanato-3-phenylpropionate. 2-Isothiocyanato-3-phenyl-propionic acid ethyl ester. L-Tyrosine, N,O-bis(pivaloyl)-, methyl ester. 4-Benzyl-2,5-oxazolidinedione. DL-Phenylalanine, N-dimethylaminomethylene-, ethyl ester. l-Phenylalanine, N-(m-toluoyl)-, methyl ester. Acetamide, N-(«alpha»-methylphenethyl)-. l-Phenylalanine, n-heptafluorobutyryl-, hexadecyl ester. S(-)-Cathinone, N-acetyl-. DL-Phenylalanine. Phenylalanine. Normephedrone, Ac. Tyr, TFE-PFP. Beta-phenylserine, ethyl ester.

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