N-Acetyl-D-Phenylalanine - ≥98% , CAS No.10172-89-1

CAS: 10172-89-1 Cat. No.: A109364 Molecular Weight: 207.23 Beilstein Registry Number: 14(2)297 EC Number: 233-447-7

GRADE & PURITY ≥98%

Synonyms

AFALANINE, (R)- | C05620 | N-Acetylphenylalanine, D- | D-N-acetylphenylalanine | MFCD00002664 | (-)-N-ACETYL-D-PHENYLALANINE | (R)-N-acetylphenylalanine | BENZYL BENZOATE (EP IMPURITY) | N-Acetyl-D-phenylalanine | AC-24139 | J-300204 | 606E063065 | ALANIN

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

AFALANINE, (R)- | C05620 | N-Acetylphenylalanine, D- | D-N-acetylphenylalanine | MFCD00002664 | (-)-N-ACETYL-D-PHENYLALANINE | (R)-N-acetylphenylalanine | BENZYL BENZOATE (EP IMPURITY) | N-Acetyl-D-phenylalanine | AC-24139 | J-300204 | 606E063065 | ALANIN

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488187239
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187239
• Canonical Smiles: CC(=O)NC(CC1=CC=CC=C1)C(=O)O
• IUPAC Name: (2R)-2-acetamido-3-phenylpropanoic acid
• InChIKey: CBQJSKKFNMDLON-SNVBAGLBSA-N
• 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-/m1/s1
• Isomeric SMILES: CC(=O)N[C@H](CC1=CC=CC=C1)C(=O)O
• WGK Germany: 3
• Molecular Weight: 207.23
• Beilstein: 14(2)297
• Reaxy-Rn: 2213851
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2213851&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Phenylalanine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Phenylalanine and derivatives
• Alternative Parents: N-acyl-alpha amino acids Phenylpropanoic acids Amphetamines and derivatives Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Carboximidic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalanine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - 3-phenylpropanoic-acid - Amphetamine or derivatives - Monocyclic benzene moiety - Benzenoid - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: N-acetyl-D-amino acid - N-acyl-D-phenylalanine - N-acetylphenylalanine

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Specific Rotation[α]: -41 ° (C=5, MeOH)
• Melt Point(°C): 171-173°C
• Molecular Weight: 207.230 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 207.09 Da
• Monoisotopic Mass: 207.09 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 234.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1