GRADE & PURITY Technical grade

Synonyms

2-Naphthalenecarboxamide, 3-hydroxy-4-[(4-methyl-2-nitrophenyl)azo]-N-(2-methylphenyl)- | 3-Hydroxy-4-((4-methyl-2-nitrophenyl)azo)-N-(o-tolyl)naphthalene-2-carboxamide | MFCD00071983 | 3-Hydroxy-4-((4-methyl-2-nitrophenyl)diazenyl)-N-(o-tolyl)-2-naphtham

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2-Naphthalenecarboxamide, 3-hydroxy-4-[(4-methyl-2-nitrophenyl)azo]-N-(2-methylphenyl)- | 3-Hydroxy-4-((4-methyl-2-nitrophenyl)azo)-N-(o-tolyl)naphthalene-2-carboxamide | MFCD00071983 | 3-Hydroxy-4-((4-methyl-2-nitrophenyl)diazenyl)-N-(o-tolyl)-2-naphtham

Specifications & Purity

technical grade

Storage

Room temperature

Shipped In

Normal

Grade

Technical grade

Names and Identifiers

• Pubchem Sid: 504755491
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755491
• Canonical Smiles: CC1=CC(=C(C=C1)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC=CC=C4C)O)[N+](=O)[O-]
• IUPAC Name: 3-hydroxy-4-[(4-methyl-2-nitrophenyl)diazenyl]-N-(2-methylphenyl)naphthalene-2-carboxamide
• InChIKey: ZULWYEUQOYBFOW-UHFFFAOYSA-N
• INCHI: 1S/C25H20N4O4/c1-15-11-12-21(22(13-15)29(32)33)27-28-23-18-9-5-4-8-17(18)14-19(24(23)30)25(31)26-20-10-6-3-7-16(20)2/h3-14,30H,1-2H3,(H,26,31)
• Isomeric SMILES: CC1=CC(=C(C=C1)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC=CC=C4C)O)[N+](=O)[O-]
• PubChem CID: 81022
• Molecular Weight: 440.45

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass Naphthols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Naphthols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthols and derivatives
• Alternative Parents: Nitrotoluenes Nitrobenzenes Nitroaromatic compounds Azo compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboximidic acids Organopnictogen compounds Organooxygen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthol - Nitrotoluene - Nitrobenzene - Nitroaromatic compound - Toluene - Monocyclic benzene moiety - Organic nitro compound - C-nitro compound - Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboximidic acid derivative - Carboximidic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position.
• 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: 440.400 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 440.148 Da
• Monoisotopic Mass: 440.148 Da
• Topological Polar Surface Area: 120.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 726.000
• 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