N,N'-Dimethylphthalamide - ≥98% , CAS No.19532-98-0

CAS: 19532-98-0 Cat. No.: B709526 分子式: C₁₀H₁₂N₂O₂ 分子量: 192.21 PubChem CID: 5237652

GRADE & PURITY ≥98%

Synonyms

N,N'-dimethyl-1,2-Benzenedicarboxamide | N1,N2-dimethylbenzene-1,2-dicarboxamide

Storage

Room temperature

Specifications

同義語

N,N'-dimethyl-1,2-Benzenedicarboxamide | N1,N2-dimethylbenzene-1,2-dicarboxamide

仕様と純度

≥98%

保管条件

Room temperature

純度

≥98%

名前と識別子

パブケム・シド

528766425

カノニカル・スマイル

CNC(=O)C1=CC=CC=C1C(=O)NC

IUPAC Name

1-N,2-N-dimethylbenzene-1,2-dicarboxamide

InChIKey

OAJRKNFPHGSOSX-UHFFFAOYSA-N

INCHI

1S/C10H12N2O2/c1-11-9(13)7-5-3-4-6-8(7)10(14)12-2/h3-6H,1-2H3,(H,11,13)(H,12,14)

異性体SMILES

CNC(=O)C1=CC=CC=C1C(=O)NC

PubChem CID

5237652

分子量

192.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzamides
• Alternative Parents: Benzoyl derivatives Secondary carboxylic acid amides Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzamide - Benzoyl - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.
• 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

• 分子量: 192.210 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 192.09 Da
• Monoisotopic Mass: 192.09 Da
• Topological Polar Surface Area: 58.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 204.000
• 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