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

CAS: 64315-36-2 Cat. No.: A136987 分子式: C₈D₄H₅NO₂ 分子量: 155.19 EC番号: 804-095-7

グレード＆純度 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

概要

An analgesic and an antipyretic.

仕様

同義語

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-

仕様と純度

analytical standard

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

分析用標準物質

アクションタイプ

INHIBITOR

名前と識別子

パブケム・シド

528775980

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/528775980

カノニカル・スマイル

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

異性体SMILES

[2H]C1=C(C(=C(C(=C1NC(=O)C)[2H])[2H])O)[2H]

WGKドイツ

1

分子量

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
    • 分類 Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Soluble in Dimethyl Sulfoxide and Methanol
• 引火点（°F）: 370.4 °F
• 引火点（°C）: 188 °C
• 分子量: 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