Hansa Yellow - ≥45.0%(E) , CAS No.2512-29-0

CAS: 2512-29-0 Cat. No.: H157009 Formule: C₁₇H₁₆N₄O₄ Poids moléculaire: 340.34 Numéro CE: 219-730-8

GRADE & PURITY ≥45.0%(E)

Synonyms

Hansa Yellow G Extra | UNII-RMB4YA40UY | Acrylamide Yellow G | alpha-(o-Nitro-p-tolylazo)acetoacetanilide | Hansa Yellow Toner G YA-8365 | Symuler Fast Yellow GH | Lightfast Yellow | Transa Flo Yellow | D90834 | JAPAN YELLOW NO. 401 | Toluidine Yellow AH

Storage

Protected from light,Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonymes

Hansa Yellow G Extra | UNII-RMB4YA40UY | Acrylamide Yellow G | alpha-(o-Nitro-p-tolylazo)acetoacetanilide | Hansa Yellow Toner G YA-8365 | Symuler Fast Yellow GH | Lightfast Yellow | Transa Flo Yellow | D90834 | JAPAN YELLOW NO. 401 | Toluidine Yellow AH

Spécifications et pureté

≥45.0%(E)

Conditions de stockage de stockage

Protected from light,Room temperature,Desiccated

Expédié en

Normal

Pureté

≥45.0%(E)

Noms et identifiants

Pubchem Sid

528774747

Sourires canoniques

CC1=CC(=C(C=C1)N=NC(C(=O)C)C(=O)NC2=CC=CC=C2)[N+](=O)[O-]

IUPAC Name

2-[(4-methyl-2-nitrophenyl)diazenyl]-3-oxo-N-phenylbutanamide

InChIKey

MFYSUUPKMDJYPF-UHFFFAOYSA-N

INCHI

1S/C17H16N4O4/c1-11-8-9-14(15(10-11)21(24)25)19-20-16(12(2)22)17(23)18-13-6-4-3-5-7-13/h3-10,16H,1-2H3,(H,18,23)

Isomères SMILES

CC1=CC(=C(C=C1)N=NC(C(=O)C)C(=O)NC2=CC=CC=C2)[N+](=O)[O-]

Poids moléculaire

340.34

Reaxy-Rn

1844988

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1844988&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: Anilides Nitrotoluenes Nitrobenzenes Nitroaromatic compounds N-arylamides 1,3-dicarbonyl compounds Fatty amides Secondary carboxylic acid amides Azo compounds Ketones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic zwitterions Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid amide - Nitrobenzene - Anilide - Nitrotoluene - Nitroaromatic compound - N-arylamide - Toluene - Monocyclic benzene moiety - Fatty amide - 1,3-dicarbonyl compound - Benzenoid - Fatty acyl - Organic nitro compound - Carboxamide group - Ketone - Azo compound - C-nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxygen compound - Organic oxide - Organic zwitterion - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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

Propriétés chimiques et physiques

• Sensibilité: Light and Moisture sensitive
• Poids moléculaire: 340.330 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 340.117 Da
• Monoisotopic Mass: 340.117 Da
• Topological Polar Surface Area: 117.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 525.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1