3-Amino-2-nitropyridine - ≥98% , CAS No.13269-19-7

CAS: 13269-19-7 Cat. No.: A138155 Summenformel: C₅H₅N₃O₂ Molekulargewicht: 100.16 Beilstein Registry Number: 22(5)9,100 EG-Nummer: 236-260-9

GRADE & PURITY ≥98%

Synonyms

2-Nitro-3-pyridinamine # | 4-[2-(4-Chlorophenyl)ethanethioyl]morpholine | DTXSID50157715 | Z1201618037 | AKOS006223457 | J-511555 | SB52290 | 3-amino-2-nitropyridine | AM20050769 | 2-Fluoro-3-oxobutanoic acid ethyl ester;Ethyl 2-fluoro-3-oxobutanoate;Ethy

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

2-Nitro-3-pyridinamine # | 4-[2-(4-Chlorophenyl)ethanethioyl]morpholine | DTXSID50157715 | Z1201618037 | AKOS006223457 | J-511555 | SB52290 | 3-amino-2-nitropyridine | AM20050769 | 2-Fluoro-3-oxobutanoic acid ethyl ester;Ethyl 2-fluoro-3-oxobutanoate;Ethy

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504755664

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755664

Kanonisches Lächeln

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

IUPAC Name

2-nitropyridin-3-amine

InChIKey

GZBKVUGZEAJYHH-UHFFFAOYSA-N

INCHI

1S/C5H5N3O2/c6-4-2-1-3-7-5(4)8(9)10/h1-3H,6H2

Isomere SMILES

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

Molekulargewicht

100.16

Beilstein

22(5)9,100

Reaxy-Rn

124467

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=124467&ln=

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 Imidolactams 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 - Imidolactam - Heteroaromatic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - 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: Air Sensitive
• Schmelzpunkt (°C): 201 °C
• Molekulargewicht: 139.110 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 139.038 Da
• Monoisotopic Mass: 139.038 Da
• Topological Polar Surface Area: 84.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 133.000
• 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