4-Amino-3,5-dinitropyridine - ≥97% , CAS No.31793-29-0

CAS: 31793-29-0 Cat. No.: A697026 Summenformel: C₅H₄N₄O₄ Molekulargewicht: 184.11

QUALITÄT & REINHEIT ≥97%

Synonyms

3,5-Dinitropyridin-4-amine | 3,5-dinitro-4-pyridinamine

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Spezifikationen

Synonyme

3,5-Dinitropyridin-4-amine | 3,5-dinitro-4-pyridinamine

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

528760196

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528760196

Kanonisches Lächeln

C1=C(C(=C(C=N1)[N+](=O)[O-])N)[N+](=O)[O-]

IUPAC Name

3,5-dinitropyridin-4-amine

InChIKey

IEUQRKITTGSLJL-UHFFFAOYSA-N

INCHI

1S/C5H4N4O4/c6-5-3(8(10)11)1-7-2-4(5)9(12)13/h1-2H,(H2,6,7)

Isomere SMILES

C1=C(C(=C(C=N1)[N+](=O)[O-])N)[N+](=O)[O-]

Molekulargewicht

184.11

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Klasse Allyl-type 1,3-dipolar organic compounds
      • Subclass Organic nitro compounds
        • Ebene5 C-nitro compounds
          • Ebene6 Nitroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Klasse: Allyl-type 1,3-dipolar organic compounds
• Subclass: Organic nitro compounds
• Intermediate Tree Nodes: C-nitro compounds
• Direct Parent: Nitroaromatic compounds
• Alternative Parents: Aminopyridines and derivatives Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Primary amines Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Aminopyridine - Pyridine - Heteroaromatic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Organopnictogen compound - Primary amine - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive
• Molekulargewicht: 184.110 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 184.023 Da
• Monoisotopic Mass: 184.023 Da
• Topological Polar Surface Area: 131.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 200.000
• 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