2,2,2′-Trimethylpropionanilide - ≥98% , CAS No.61495-04-3

CAS: 61495-04-3 Cat. No.: T474362 Summenformel: C₁₂H₁₇NO Molekulargewicht: 191.27 EG-Nummer: 626-516-1 PubChem CID: 2734005

GRADE & PURITY ≥98%

Synonyms

J-640456 | 2,2,2'-Trimethylpropionanilide | AKOS003853846 | 2,2-dimethyl-N-o-tolyl-propionamide | CSGRQLUGMVFNON-UHFFFAOYSA-N | DTXSID20370075 | N-(o-Tolyl)pivalamide | SCHEMBL397003 | MFCD00075432 | 2,2,2'-Trimethylpropionanilide, 99% | N-(2-methylphenyl

Storage

Room temperature

Übersicht

Description

2,2,2′-Trimethylpropionanilide (2,2,2-N-pivaloyl-o-toluidine) may be used to determine the concentration of lithium diisopropylamide mono(tetrahydrofuran) via titration. It may be used to determine the concentrations of alkyllithiums by titration, to the colorimetric endpoint, indicated by the persistence of a yellow color in the solution.

Specifications

Synonyme

J-640456 | 2,2,2'-Trimethylpropionanilide | AKOS003853846 | 2,2-dimethyl-N-o-tolyl-propionamide | CSGRQLUGMVFNON-UHFFFAOYSA-N | DTXSID20370075 | N-(o-Tolyl)pivalamide | SCHEMBL397003 | MFCD00075432 | 2,2,2'-Trimethylpropionanilide, 99% | N-(2-methylphenyl

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488192469

Kanonisches Lächeln

CC1=CC=CC=C1NC(=O)C(C)(C)C

IUPAC Name

2,2-dimethyl-N-(2-methylphenyl)propanamide

InChIKey

CSGRQLUGMVFNON-UHFFFAOYSA-N

INCHI

1S/C12H17NO/c1-9-7-5-6-8-10(9)13-11(14)12(2,3)4/h5-8H,1-4H3,(H,13,14)

Isomere SMILES

CC1=CC=CC=C1NC(=O)C(C)(C)C

PubChem CID

2734005

Molekulargewicht

191.27

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: Anilides
• Alternative Parents: N-arylamides Toluenes Secondary carboxylic acid amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anilide - N-arylamide - Toluene - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• 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

• Molekulargewicht: 191.270 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 191.131 Da
• Monoisotopic Mass: 191.131 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 205.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 61495-04-3, the molecular formula is C12H17NO, and the molecular weight is 191.27 g/mol. InChIKey CSGRQLUGMVFNON-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.