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

CAS: 537-92-8 Cat. No.: M158141 Formule: C₉H₁₁NO Poids moléculaire: 149.19 Numéro CE: 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

Vue d’ensemble

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

Specifications

Synonymes

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 |

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

488181196

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181196

Sourires canoniques

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)

Isomères SMILES

CC1=CC(=CC=C1)NC(=O)C

WGK Allemagne

3

RTECS

AN2875000

Poids moléculaire

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
• 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

Cibles associées (humaines)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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

Lymphoblastoid cell (5959 Activities)

Explore this target

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

HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

Discover Target: HSD17B10

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

Cibles associées (non humaines)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: alcohol: freely soluble(lit.)；diethyl ether: freely soluble(lit.)；water: slightly soluble(lit.)
• Point d'ébullition (°C): 303 °C
• Point de fusion (°C): 65-67°C
• Poids moléculaire: 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

Foire aux questions

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.