3-Amino-4-methylbenzamide - ≥98% , CAS No.19406-86-1

CAS: 19406-86-1 Cat. No.: A151422 Molecular Weight: 150.18 EC Number: 243-039-0

GRADE & PURITY ≥98%

Synonyms

Q27260927 | Tox21_302118 | 2-(1-CARBAMOYLMETHYL-CYCLOHEXYL)-ACETAMIDE | EN300-59606 | CAS-19406-86-1 | EC 243-039-0 | 3-Amino-4-methylbenzamide | 3-amino-4-methyl-benzamide | Z57912417 | A813698 | TS-01977 | 51VB4677FF | STL377845 | 2-Propylthioisonicotin

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

Q27260927 | Tox21_302118 | 2-(1-CARBAMOYLMETHYL-CYCLOHEXYL)-ACETAMIDE | EN300-59606 | CAS-19406-86-1 | EC 243-039-0 | 3-Amino-4-methylbenzamide | 3-amino-4-methyl-benzamide | Z57912417 | A813698 | TS-01977 | 51VB4677FF | STL377845 | 2-Propylthioisonicotin

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488186467
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186467
• Canonical Smiles: CC1=C(C=C(C=C1)C(=O)N)N
• IUPAC Name: 3-amino-4-methylbenzamide
• InChIKey: VYBKAZXQKUFAHG-UHFFFAOYSA-N
• INCHI: 1S/C8H10N2O/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,9H2,1H3,(H2,10,11)
• Isomeric SMILES: CC1=C(C=C(C=C1)C(=O)N)N
• Molecular Weight: 150.18
• Reaxy-Rn: 3088694
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3088694&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Aminobenzoic acids and derivatives
• Direct Parent: Aminobenzamides
• Alternative Parents: p-Toluamides Benzamides Benzoyl derivatives Aniline and substituted anilines Aminotoluenes 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 - Benzamide - Toluamide - P-toluamide - Benzoyl - Aniline or substituted anilines - Aminotoluene - Toluene - Amino acid or derivatives - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminobenzamides. These are organic compounds containing a benzamide moiety with an amine group attached to 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

• Solubility: Soluble in Methanol
• Sensitivity: Air Sensitive
• Melt Point(°C): 131 °C
• Molecular Weight: 150.180 g/mol
• XLogP3: -0.300
• 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