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

CAS: 64315-36-2 Cat. No.: A136987 Summenformel: C₈D₄H₅NO₂ Molekulargewicht: 155.19 EG-Nummer: 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

Übersicht

An analgesic and an antipyretic.

Specifications

Synonyme

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-

Spezifikationen & Reinheit

analytical standard

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Analytischer Standard

Namen und Kennungen

• Pubchem Sid: 528775980
• Kanonisches Lächeln: 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
• Isomere SMILES: [2H]C1=C(C(=C(C(=C1NC(=O)C)[2H])[2H])O)[2H]
• WGK Deutschland: 1
• Molekulargewicht: 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
    • Klasse Benzene and substituted derivatives
      • Subclass Anilides

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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Dimethyl Sulfoxide and Methanol
• Flammpunkt (°F): 370.4 °F
• Flammpunkt (°C): 188 °C
• Molekulargewicht: 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