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Basic information

  • Name:
  • N-Acetyl-L-phenylalanine

  • CAS No.:
  • 2018-61-3

  • Molecular Structure:
  • Formula:
  • C11H13NO3
  • Molecular Weight:
  • 207.23
  • Synonyms:
  • Acetylphenylalanine;(2S)-2-acetamido-3-phenyl-propanoic acid;Alanine, N-acetyl-3-phenyl-, L-;L-N-Acetylphenylalanine;Ac-Phe-OH;L-Phenylalanine, N-acetyl-;(2S)-2-acetamido-3-phenyl-propanoate;N-Acetyl-3-phenyl-L-alanine;Acetyl-L-phenylalanine;N-Acetylphenylalanine;Alanine, N-acetyl-3-phenyl-, L- (8CI);H-Phe-OH;
  • EINECS:
  • 217-959-8
  • Density:
  • 1.199 g/cm3
  • Melting Point:
  • 171-173 °C(lit.)
  • Boiling Point:
  • 453.9 °C at 760 mmHg
  • Flash Point:
  • 228.3 °C
  • Appearance:
  • white to off-white fine cryst. powder or needles
  • Safety Description:
  • 24/25 Details

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Chemistry

Molecule structure of N-Acetyl-L-phenylalanine (CAS NO.2018-61-3):

IUPAC Name: (2S)-2-Acetamido-3-phenylpropanoic acid 
Molecular Weight: 207.22582 g/mol
Molecular Formula: C11H13NO3 
Density: 1.199 g/cm3 
Melting Point: 171-173 °C(lit.)
Boiling Point: 453.9 °C at 760 mmHg 
Flash Point: 228.3 °C
Index of Refraction: 1.547
Molar Refractivity: 54.84 cm3
Molar Volume: 172.7 cm3
Surface Tension: 48.3 dyne/cm 
Enthalpy of Vaporization: 75.18 kJ/mol
Vapour Pressure: 4.96E-09 mmHg at 25 °C 
XLogP3: 0.6
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 4
Tautomer Count: 2
Exact Mass: 207.089543
MonoIsotopic Mass: 207.089543
Topological Polar Surface Area: 66.4
Heavy Atom Count: 15
Canonical SMILES: CC(=O)NC(CC1=CC=CC=C1)C(=O)O
Isomeric SMILES: CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O
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
EINECS: 217-959-8
Product Categories: Amino Acids Derivatives; chiral; Amino Acid Derivatives; Amino Acids; Phenylalanine [Phe, F]; Amino Acids and Derivatives; Ac-Amino Acids; Amino Acids (N-Protected); Biochemistry; N-Acetyl-Amino acid series; Amino Acid Derivatives; Peptide Synthesis; Phenylalanine

Safety Profile

Safety Statements of N-Acetyl-L-phenylalanine (CAS NO.2018-61-3): 24/25 
S24/25: Avoid contact with skin and eyes.
WGK Germany: 3

Specification

 N-Acetyl-L-phenylalanine (CAS NO.2018-61-3) is also named as Acetyl-L-phenylalanine ; Acetylphenylalanine ; L-N-Acetylphenylalanine ; N-Acetylphenylalanine ; NSC 45699 ; Alanine, N-acetyl-3-phenyl-, L- (8CI) ; L-Phenylalanine, N-acetyl- ; N-Acetyl-3-phenyl-L-alanine . It is white to off-white fine cryst. powder or needles.

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