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Substance Name: N-Acetylphenylalanine
RN: 2018-61-3
UNII: NP5BT39467
InChIKey: CBQJSKKFNMDLON-JTQLQIEISA-N

Molecular Formula

  • C11-H13-N-O3

Molecular Weight

  • 207.2277
 
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Names and Synonyms

Name of Substance

  • N-Acetylphenylalanine

Synonyms

  • Acetyl-L-phenylalanine
  • Acetylphenylalanine
  • EINECS 217-959-8
  • L-N-Acetylphenylalanine
  • N-Acetyl-L-phenylalanine
  • N-Acetylphenylalanine
  • NSC 45699
  • UNII-NP5BT39467

Systematic Names

  • Alanine, N-acetyl-3-phenyl-, L- (8CI)
  • L-Phenylalanine, N-acetyl-
  • N-Acetyl-3-phenyl-L-alanine

Registry Numbers

CAS Registry Number

  • 2018-61-3

FDA UNII

  • NP5BT39467

System Generated Number

  • 0002018613

Structure Descriptors

InChI

InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1

InChIKey

CBQJSKKFNMDLON-JTQLQIEISA-N

Smiles

CC(=O)N[C@@H](Cc1ccccc1)C(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 171-173 deg C   EXP
log P (octanol-water) 0.93 (none)   EXP
Water Solubility 6450 mg/L 25 EST
Vapor Pressure 2.43E-07 mm Hg 25 EST
Henry's Law Constant 3.91E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.95E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.