N-Phenylglycine - ≥97% , CAS No.103-01-5

CAS: 103-01-5 Cat. No.: P111407 Molecular Weight: 151.16 Beilstein Registry Number: 509838 EC Number: 203-070-2

GRADE & PURITY ≥97%

Synonyms

CHEBI:55477 | Phenylglycine | Ph-Gly-OH | 2-anilinoacetic acid | N-Phenylaminoacetic acid | N-Phenylglycine | n-phenyl-glycine | AI3-09070 | W-108859 | P0180 | BIDD:GT0243 | AM81798 | FT-0695168 | Q22668730 | Glycine, N-phenyl- | N-Phenylglycine; LC-tDDA;

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Overview

Application：

N-Phenylglycine coupled with Glycidyl methacrylate to create a surface active comonomer that promotes adhesive bonding of materials to hard tooth tissues.

Specifications

Synonyms

CHEBI:55477 | Phenylglycine | Ph-Gly-OH | 2-anilinoacetic acid | N-Phenylaminoacetic acid | N-Phenylglycine | n-phenyl-glycine | AI3-09070 | W-108859 | P0180 | BIDD:GT0243 | AM81798 | FT-0695168 | Q22668730 | Glycine, N-phenyl- | N-Phenylglycine; LC-tDDA;

Specifications & Purity

≥97%

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488183705
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183705
• Canonical Smiles: C1=CC=C(C=C1)NCC(=O)O
• IUPAC Name: 2-anilinoacetic acid
• InChIKey: NPKSPKHJBVJUKB-UHFFFAOYSA-N
• INCHI: 1S/C8H9NO2/c10-8(11)6-9-7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)
• Isomeric SMILES: C1=CC=C(C=C1)NCC(=O)O
• WGK Germany: 3
• Molecular Weight: 151.16
• Beilstein: 509838
• Reaxy-Rn: 509838
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=509838&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 Alpha amino acids

• 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: Alpha amino acids
• Alternative Parents: Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Secondary amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
• External Descriptors: non-proteinogenic alpha-amino acid

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

Chemical and Physical Properties

• Solubility: Soluble in water.
• Sensitivity: Light & air sensitive
• Melt Point(°C): 121-123°C
• Molecular Weight: 151.160 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 151.063 Da
• Monoisotopic Mass: 151.063 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 130.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

References

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