Acetaminophen-D4 - analytical standard , CAS No.64315-36-2

CAS: 64315-36-2 Cat. No.: A136987 Formule: C₈D₄H₅NO₂ Poids moléculaire: 155.19 Numéro CE: 804-095-7

GRADE & PURITY Analytical standard

Synonyms

Acetaminophen-(ring-d4), analytical standard | AB08551 | N-(4-Hydroxyphenyl)acetamide-d4 | N-[4-hydroxy(2,3,5,6-?H?)phenyl]acetamide | EN300-25981101 | Acetaminophen-d4 (major) | N-[4-hydroxy(2H4)phenyl]acetamide | N-Acetyl-4-aminophenol-d4 | Paracetamol-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

An analgesic and an antipyretic.

Specifications

Synonymes

Acetaminophen-(ring-d4), analytical standard | AB08551 | N-(4-Hydroxyphenyl)acetamide-d4 | N-[4-hydroxy(2,3,5,6-?H?)phenyl]acetamide | EN300-25981101 | Acetaminophen-d4 (major) | N-[4-hydroxy(2H4)phenyl]acetamide | N-Acetyl-4-aminophenol-d4 | Paracetamol-

Spécifications et pureté

analytical standard

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Étalon d'analyse

Noms et identifiants

• Pubchem Sid: 528775980
• Sourires canoniques: CC(=O)NC1=CC=C(C=C1)O
• IUPAC Name: N-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)acetamide
• InChIKey: RZVAJINKPMORJF-QFFDRWTDSA-N
• INCHI: 1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)/i2D,3D,4D,5D
• Isomères SMILES: [2H]C1=C(C(=C(C(=C1NC(=O)C)[2H])[2H])O)[2H]
• WGK Allemagne: 1
• Poids moléculaire: 155.19
• Reaxy-Rn: 2208089
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208089&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 1-hydroxy-2-unsubstituted benzenoids Acetamides Secondary carboxylic acid amides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Acetanilide - N-acetylarylamine - N-arylamide - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Soluble in Dimethyl Sulfoxide and Methanol
• Point d'éclair (°F): 370.4 °F
• Point d'éclair (°C): 188 °C
• Poids moléculaire: 155.190 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 155.088 Da
• Monoisotopic Mass: 155.088 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 139.000
• Isotope Atom Count: 4
• 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