Azoic Diazo Component 24 (Base) - ≥97%(HPLC) , CAS No.6268-05-9

CAS: 6268-05-9 Cat. No.: A151389 Molecular Weight: 272.3 Beilstein Registry Number: 13(3)2170 EC Number: 228-441-6

GRADE & PURITY ≥97%(HPLC)

Synonyms

Fast Blue MR Base | Fast Blue RR | Benzamide, N-(4-amino-2,5-dimethoxyphenyl)- | UNII-230CS62TQ0 | E78207 | O-benzyl-N-(tert-butoxycarbonyl)-L-tyrosine | A922921 | DDRCIGNRLHTTIW-UHFFFAOYSA- | MFCD00037243 | 230CS62TQ0 | Fast Blue RR Base | NSC37139 | NSC

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Fast Blue MR Base | Fast Blue RR | Benzamide, N-(4-amino-2, 5-dimethoxyphenyl)- | UNII-230CS62TQ0 | E78207 | O-benzyl-N-(tert-butoxycarbonyl)-L-tyrosine | A922921 | DDRCIGNRLHTTIW-UHFFFAOYSA- | MFCD00037243 | 230CS62TQ0 | Fast Blue RR Base | NSC37139 | NSC

Specifications & Purity

≥97%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥97%(HPLC)

Names and Identifiers

• Canonical Smiles: COC1=CC(=C(C=C1N)OC)NC(=O)C2=CC=CC=C2
• IUPAC Name: N-(4-amino-2,5-dimethoxyphenyl)benzamide
• InChIKey: DDRCIGNRLHTTIW-UHFFFAOYSA-N
• INCHI: 1S/C15H16N2O3/c1-19-13-9-12(14(20-2)8-11(13)16)17-15(18)10-6-4-3-5-7-10/h3-9H,16H2,1-2H3,(H,17,18)
• Isomeric SMILES: COC1=CC(=C(C=C1N)OC)NC(=O)C2=CC=CC=C2
• Molecular Weight: 272.3
• Beilstein: 13(3)2170
• Reaxy-Rn: 3375680
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3375680&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: Dimethoxybenzenes Methoxyanilines Benzamides Aminophenyl ethers Phenoxy compounds 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 - Dimethoxybenzene - P-dimethoxybenzene - Benzamide - Benzoic acid or derivatives - Aminophenyl ether - Methoxyaniline - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Ether - Carboxylic acid derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - 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: 272.300 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 272.116 Da
• Monoisotopic Mass: 272.116 Da
• Topological Polar Surface Area: 73.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 318.000
• 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