2-Amino-4-methylbenzamide - ≥95% , CAS No.39549-79-6

CAS: 39549-79-6 Cat. No.: A303642 Molecular Weight: 150.18 EC Number: 834-052-8

GRADE & PURITY ≥95%

Synonyms

A824615 | MFCD00221474 | PD144767 | 2-amino-4-methylbenzamide | 2-Amino-4-methyl-benzamide | EN300-267676 | TS-01978 | SCHEMBL160721 | DTXSID60384257 | SB75751 | AKOS006229430 | RUHKZVAPXHIWJH-UHFFFAOYSA-N | FT-0611121 | 2-amino 4-methyl benzamide | 2-ami

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

A824615 | MFCD00221474 | PD144767 | 2-amino-4-methylbenzamide | 2-Amino-4-methyl-benzamide | EN300-267676 | TS-01978 | SCHEMBL160721 | DTXSID60384257 | SB75751 | AKOS006229430 | RUHKZVAPXHIWJH-UHFFFAOYSA-N | FT-0611121 | 2-amino 4-methyl benzamide | 2-ami

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC1=CC(=C(C=C1)C(=O)N)N
• IUPAC Name: 2-amino-4-methylbenzamide
• InChIKey: RUHKZVAPXHIWJH-UHFFFAOYSA-N
• INCHI: 1S/C8H10N2O/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,9H2,1H3,(H2,10,11)
• Isomeric SMILES: CC1=CC(=C(C=C1)C(=O)N)N
• Molecular Weight: 150.18
• Reaxy-Rn: 3242087
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3242087&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Benzamides
• Direct Parent: Anthranilamides
• Alternative Parents: 2-aminobenzamides p-Toluamides Benzoyl derivatives Aniline and substituted anilines Aminotoluenes Vinylogous amides Primary carboxylic acid amides Amino acids and derivatives Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzamide - Anthranilamide - Aminobenzoic acid or derivatives - 2-aminobenzamide - P-toluamide - Toluamide - Benzoyl - Aniline or substituted anilines - Aminotoluene - Toluene - Vinylogous amide - Primary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Carboxylic acid derivative - Organic oxide - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: 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: 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

Chemical and Physical Properties

• Sensitivity: light sensitive
• Molecular Weight: 150.180 g/mol
• XLogP3: 0.700
• 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: 69.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 158.000
• 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