3-Hidroxiacetaminofeno - ≥95% , CAS No.37519-14-5

CAS: 37519-14-5 Cat. No.: H347566 Fórmula: C₈H₉NO₃ Peso molecular: 167.16 Número CE: 112-529-5

GRADE & PURITY ≥95%

Synonyms

A874081 | Acetaminofeno-metabolito3-hidroxi-acetaminofeno | AKOS006273180 | N-(3,4-Dihidroxifenil)acetamida # | S10202 | 3-Hidroxiacetaminofeno | SCHEMBL3192352 | UNII-IX22A3NJLN | Acetamida, N-(3,4-dihidroxifenil)- | 3-hidroxi-paracetamol | IPFBMHOMTSBT

Storage

Armazenar a -20°C

Shipped In

Arca de gelo + almofadas de gelo

Visão geral

a 3-hidroxiacetaminofena é um metabolito da acetaminofena.

Specifications

Sinónimos

A874081 | Acetaminofeno-metabolito3-hidroxi-acetaminofeno | AKOS006273180 | N-(3,4-Dihidroxifenil)acetamida # | S10202 | 3-Hidroxiacetaminofeno | SCHEMBL3192352 | UNII-IX22A3NJLN | Acetamida, N-(3,4-dihidroxifenil)- | 3-hidroxi-paracetamol | IPFBMHOMTSBT

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Armazenar a -20°C

Enviado em

Arca de gelo + almofadas de gelo

Pureza

≥95%

Nomes e identificadores

• Pubchem Sid: 528759211
• Sorrisos canónicos: CC(=O)NC1=CC(=C(C=C1)O)O
• IUPAC Name: N-(3,4-dihydroxyphenyl)acetamide
• InChIKey: IPFBMHOMTSBTSU-UHFFFAOYSA-N
• INCHI: 1S/C8H9NO3/c1-5(10)9-6-2-3-7(11)8(12)4-6/h2-4,11-12H,1H3,(H,9,10)
• SMILES isoméricas: CC(=O)NC1=CC(=C(C=C1)O)O
• Peso molecular: 167.16
• Reaxy-Rn: 2096475
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2096475&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetanilides
• Alternative Parents: N-acetylarylamines Catechols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Acetamides Secondary carboxylic acid amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Acetanilide - N-acetylarylamine - Catechol - N-arylamide - 1-hydroxy-4-unsubstituted benzenoid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as acetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group.
• 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

Propriedades químicas e físicas

• Solubilidade: Soluble in DMSO, Ethanol and Methanol
• Ponto de fusão (°C): 160-164° C
• Peso molecular: 167.160 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 167.058 Da
• Monoisotopic Mass: 167.058 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 172.000
• 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