p-Acetotoluidina - ≥98%(GC) , CAS No.103-89-9

CAS: 103-89-9 Cat. No.: P160549 Formula: C₉H₁₁NO Peso molecolare: 149.19 Numero EC: 203-155-4 PubChem CID: 7684

GRADE & PURITY ≥98%(GC)

Synonyms

4 inverted exclamation mark -Methylacetanilide | ACETAMIDOTOLUENE, P- | N-ACETYL-P-TOLUIDINE | p-Acetotoluidine | Q27284480 | ACETYL-P-TOLUIDINE, N- | N-p-tolylacetamide | 4-ACETAMIDOTOLUENE | p-Acetotoluidide | NSC7644 | CHEBI:143108 | SCHEMBL12309457 |

Storage

Room temperature

Shipped In

Normale

Specifications

Sinonimi

4 inverted exclamation mark -Methylacetanilide | ACETAMIDOTOLUENE, P- | N-ACETYL-P-TOLUIDINE | p-Acetotoluidine | Q27284480 | ACETYL-P-TOLUIDINE, N- | N-p-tolylacetamide | 4-ACETAMIDOTOLUENE | p-Acetotoluidide | NSC7644 | CHEBI:143108 | SCHEMBL12309457 |

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normale

Purezza

≥98%(GC)

Nomi e identificatori

• Pubchem Sid: 488180526
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180526
• Sorrisi canonici: CC1=CC=C(C=C1)NC(=O)C
• IUPAC Name: N-(4-methylphenyl)acetamide
• InChIKey: YICAMJWHIUMFDI-UHFFFAOYSA-N
• INCHI: 1S/C9H11NO/c1-7-3-5-9(6-4-7)10-8(2)11/h3-6H,1-2H3,(H,10,11)
• Isomeri SMILES: CC1=CC=C(C=C1)NC(=O)C
• WGK Germania: 3
• RTECS: AN2930000
• PubChem CID: 7684
• Peso molecolare: 149.19
• Reaxy-Rn: 607036

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 Toluenes Acetamides Secondary carboxylic acid amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Acetanilide - N-acetylarylamine - N-arylamide - Toluene - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrizione: 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

Obiettivi associati (umani)

Lymphoblastoid cell (5959 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Obiettivi associati (non umani)

Plasmodium falciparum (966862 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di ebollizione (°C): 307 °C
• Punto di fusione (°C): 150 °C
• Peso molecolare: 149.190 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 149.084 Da
• Monoisotopic Mass: 149.084 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 136.000
• 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

Riferimenti

1. Xiaoya Fu, Xia Wang, Zhining Xia, Yike Huang.  (2022)  Preparation of dummy molecularly imprinted polymers for selective extraction of aromatic amine genotoxic impurities.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:36379197] [10.1016/j.chroma.2022.463617]

2. Hao Wu, Jingkang Wang, Qi Liu, Shuyi Zong, Beiqian Tian, Xin Huang, Ting Wang, Qiuxiang Yin, Hongxun Hao.  (2020)  Influences and the Mechanism of Additives on Intensifying Nucleation and Growth of p-Methylacetanilide.  CRYSTAL GROWTH & DESIGN,      [PMID:] [10.1021/acs.cgd.9b01325]

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 103-89-9, the molecular formula is C9H11NO, and the molecular weight is 149.19 g/mol. InChIKey YICAMJWHIUMFDI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.