3-Aminophenylacetic acid - ≥97% , CAS No.14338-36-4

CAS: 14338-36-4 Cat. No.: A123133 Peso molecular: 151.16 Número EC: 604-350-0

GRADE & PURITY ≥97%

Synonyms

CL8768 | (3-aminophenyl)acetic acid | (3-Amino-phenyl)-acetic acid | 3-Aminophenylacetic acid | 3-amino-phenylacetic acid | CCG-269890 | DTXSID80931848 | AE-562/43460501 | AKOS000299628 | STR02666 | Benzeneacetic acid, 3-amino- | SCHEMBL166538 | SY005117

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

CL8768 | (3-aminophenyl)acetic acid | (3-Amino-phenyl)-acetic acid | 3-Aminophenylacetic acid | 3-amino-phenylacetic acid | CCG-269890 | DTXSID80931848 | AE-562/43460501 | AKOS000299628 | STR02666 | Benzeneacetic acid, 3-amino- | SCHEMBL166538 | SY005117

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488190364
• Sonrisas canónicas: C1=CC(=CC(=C1)N)CC(=O)O
• IUPAC Name: 2-(3-aminophenyl)acetic acid
• InChIKey: XUSKZLBLGHBCLD-UHFFFAOYSA-N
• INCHI: 1S/C8H9NO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5,9H2,(H,10,11)
• Isómeros SMILES: C1=CC(=CC(=C1)N)CC(=O)O
• WGK Alemania: 3
• Peso molecular: 151.16
• Reaxy-Rn: 2803076
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2803076&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Amino acids Monocarboxylic acids and derivatives Carboxylic acids Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• External Descriptors: Not available

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

Propiedades químicas y físicas

• Punto de fusión (°C): 147-150°C
• Peso molecular: 151.160 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 151.063 Da
• Monoisotopic Mass: 151.063 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 147.000
• 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