2-Amino-N-methylbenzamide - ≥98% , CAS No.4141-08-6

CAS: 4141-08-6 Cat. No.: A151423 Peso molecular: 150.18 Número EC: 673-048-9

GRADE & PURITY ≥98%

Synonyms

AC-4392 | AQ-360/40271990 | NSC207861 | NSC-207861 | benzamide, 2-amino-n-methyl- | 2-Amino-N-methylbenzamide | 2-Amino-N-Methyl-Benzamide | 2-Aminobenzoylmethylamide | Benzamide, o-amino-N-methyl- | C17512 | Oprea1_113871 | Cambridge id 5107708 | SDCCGML

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AC-4392 | AQ-360/40271990 | NSC207861 | NSC-207861 | benzamide, 2-amino-n-methyl- | 2-Amino-N-methylbenzamide | 2-Amino-N-Methyl-Benzamide | 2-Aminobenzoylmethylamide | Benzamide, o-amino-N-methyl- | C17512 | Oprea1_113871 | Cambridge id 5107708 | SDCCGML

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488189418
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189418
• Sonrisas canónicas: CNC(=O)C1=CC=CC=C1N
• IUPAC Name: 2-amino-N-methylbenzamide
• InChIKey: KIMWOULVHFLJIU-UHFFFAOYSA-N
• INCHI: 1S/C8H10N2O/c1-10-8(11)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3,(H,10,11)
• Isómeros SMILES: CNC(=O)C1=CC=CC=C1N
• Peso molecular: 150.18
• Reaxy-Rn: 775140
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=775140&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Benzamides
          • Level6 Anthranilamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Benzamides
• Direct Parent: Anthranilamides
• Alternative Parents: 2-aminobenzamides Benzoyl derivatives Aniline and substituted anilines Vinylogous amides Secondary carboxylic acid amides Amino acids and derivatives Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anthranilamide - Aminobenzamide - Aminobenzoic acid or derivatives - 2-aminobenzamide - Benzoyl - Aniline or substituted anilines - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Amine - Organooxygen compound - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anthranilamides. These are aromatic compound containing a benzene carboxamide moiety that carries an amine group at the 2-position of the benzene ring.
• External Descriptors: aminobenzoic acid

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

Propiedades químicas y físicas

• Punto de fusión (°C): 79 °C
• Peso molecular: 150.180 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 150.079 Da
• Monoisotopic Mass: 150.079 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 147.000
• 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