N-(4-Amino-5-methoxy-2-methylphenyl)benzamide - ≥95% , CAS No.99-21-8

CAS: 99-21-8 Cat. No.: N301012 Molecular Weight: 256.3

GRADE & PURITY ≥95%

Synonyms

4'-Amino-5'-methoxy-2'-methylbenzanilide | CCG-46388 | N-(4-Amino-5-methoxy-2-methylphenyl)benzamide # | AKOS015969281 | 6W37LKR3X8 | EINECS 202-740-1 | SCHEMBL131762 | Fast Violet B, Dye content 85 % | SR-01000636089-1 | DTXSID8059188 | Fast violet B | B

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

4'-Amino-5'-methoxy-2'-methylbenzanilide | CCG-46388 | N-(4-Amino-5-methoxy-2-methylphenyl)benzamide # | AKOS015969281 | 6W37LKR3X8 | EINECS 202-740-1 | SCHEMBL131762 | Fast Violet B, Dye content 85 % | SR-01000636089-1 | DTXSID8059188 | Fast violet B | B

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488183860
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183860
• Canonical Smiles: CC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)N
• IUPAC Name: N-(4-amino-5-methoxy-2-methylphenyl)benzamide
• InChIKey: VENDXQNWODZJGB-UHFFFAOYSA-N
• INCHI: 1S/C15H16N2O2/c1-10-8-12(16)14(19-2)9-13(10)17-15(18)11-6-4-3-5-7-11/h3-9H,16H2,1-2H3,(H,17,18)
• Isomeric SMILES: CC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)N
• Molecular Weight: 256.3
• Reaxy-Rn: 3357591
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3357591&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Methoxyanilines Diaminotoluenes Benzamides Aminophenyl ethers Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Secondary carboxylic acid amides Amino acids and derivatives Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Benzamide - Benzoic acid or derivatives - Aminophenyl ether - Diaminotoluene - Methoxyaniline - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Aniline or substituted anilines - Aminotoluene - Methoxybenzene - Toluene - Alkyl aryl ether - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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

• Molecular Weight: 256.300 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 256.121 Da
• Monoisotopic Mass: 256.121 Da
• Topological Polar Surface Area: 64.400 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 303.000
• 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