m-Acetotoluidine - ≥98%(GC) , CAS No.537-92-8

CAS: 537-92-8 Cat. No.: M158141 Formula: C₉H₁₁NO Peso molecolare: 149.19 Numero EC: 208-678-1

GRADE & PURITY ≥98%(GC)

Synonyms

AKOS003870217 | Ethyl3-(trifluoromethyl)-1,2,4-oxadiazole-5-carboxylate | m-Acetotoluide | N1-(3-methylphenyl)acetamide | DTXCID304412 | 3-ACETYLAMINOTOLUENE | FT-0616116 | 3'-Methylacetanilide, 98% | m-Acetotoluidine | NCGC00091308-01 | A0062 | D88205 |

Storage

Room temperature

Shipped In

Normal

Panoramica

The IR spectra and the structural data of 3′-methylacetanilide was studied.

Specifications

Sinonimi

AKOS003870217 | Ethyl3-(trifluoromethyl)-1,2,4-oxadiazole-5-carboxylate | m-Acetotoluide | N1-(3-methylphenyl)acetamide | DTXCID304412 | 3-ACETYLAMINOTOLUENE | FT-0616116 | 3'-Methylacetanilide, 98% | m-Acetotoluidine | NCGC00091308-01 | A0062 | D88205 |

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

• Pubchem Sid: 488181196
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181196
• Sorrisi canonici: CC1=CC(=CC=C1)NC(=O)C
• IUPAC Name: N-(3-methylphenyl)acetamide
• InChIKey: ALMHSXDYCFOZQD-UHFFFAOYSA-N
• INCHI: 1S/C9H11NO/c1-7-4-3-5-9(6-7)10-8(2)11/h3-6H,1-2H3,(H,10,11)
• Isomeri SMILES: CC1=CC(=CC=C1)NC(=O)C
• WGK Germania: 3
• RTECS: AN2875000
• Peso molecolare: 149.19
• Reaxy-Rn: 2207057
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2207057&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 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

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Discover Target: HSD17B10

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: alcohol: freely soluble(lit.)；diethyl ether: freely soluble(lit.)；water: slightly soluble(lit.)
• Punto di ebollizione (°C): 303 °C
• Punto di fusione (°C): 65-67°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: 144.000
• 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

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 537-92-8, the molecular formula is C9H11NO, and the molecular weight is 149.19 g/mol. InChIKey ALMHSXDYCFOZQD-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.