(2-Aminophenyl)essigsäure - ≥98% , CAS No.3342-78-7

CAS: 3342-78-7 Cat. No.: A169654 Summenformel: C₈H₉NO₂ Molekulargewicht: 151.16 EG-Nummer: 621-176-0

GRADE & PURITY ≥98%

Synonyms

2-Aminophenylacetic acid | 2-amino-phenyl-acetic acid | DTXSID50342684 | (2-Aminophenyl)acetic acid, AldrichCPR | BB 0244246 | AKOS000104761 | EN300-64160 | FT-0634786 | 2-(2-aminophenyl)acetic acid | 2-aminophenylaceticacid | A821769 | O-AMINOPHENYLACETI

Storage

Lagerung bei -20°C

Shipped In

Eistruhe + Eispads

Specifications

Synonyme

2-Aminophenylacetic acid | 2-amino-phenyl-acetic acid | DTXSID50342684 | (2-Aminophenyl)acetic acid, AldrichCPR | BB 0244246 | AKOS000104761 | EN300-64160 | FT-0634786 | 2-(2-aminophenyl)acetic acid | 2-aminophenylaceticacid | A821769 | O-AMINOPHENYLACETI

Spezifikationen & Reinheit

≥98%

Storage

Lagerung bei -20°C

Verschickt in

Eistruhe + Eispads

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488190446
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190446
• Kanonisches Lächeln: C1=CC=C(C(=C1)CC(=O)O)N
• IUPAC Name: 2-(2-aminophenyl)acetic acid
• InChIKey: KHMNCHDUSFCTGK-UHFFFAOYSA-N
• INCHI: 1S/C8H9NO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5,9H2,(H,10,11)
• Isomere SMILES: C1=CC=C(C(=C1)CC(=O)O)N
• WGK Deutschland: 3
• Molekulargewicht: 151.16
• Reaxy-Rn: 3242057
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3242057&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: SolubilityAcetone, Chloroform, DMSO, Methanol, Water
• Schmelzpunkt (°C): 117-119°C
• Molekulargewicht: 151.160 g/mol
• XLogP3: 0.700
• 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