N(4)-Hydroxycytosine - ≥95% , CAS No.159892

CAS: 159892 Cat. No.: N1022988 Summenformel: C₄H₅N₃O₂ Molekulargewicht: 127.100

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

C1=C(NC(=O)N=C1)NO

IUPAC Name

6-(hydroxyamino)-1H-pyrimidin-2-one

InChIKey

OSHIQPFXKULOPB-UHFFFAOYSA-N

INCHI

1S/C4H5N3O2/c8-4-5-2-1-3(6-4)7-9/h1-2,9H,(H2,5,6,7,8)

Molekulargewicht

127.100

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Klasse Organonitrogen compounds
      • Subclass Arylhydroxamates

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: Organonitrogen compounds
• Subclass: Arylhydroxamates
• Intermediate Tree Nodes: Not available
• Direct Parent: Arylhydroxamates
• Alternative Parents: Pyrimidones Hydropyrimidines Heteroaromatic compounds N-organohydroxylamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Arylhydroxamate - Pyrimidone - Pyrimidine - Hydropyrimidine - Heteroaromatic compound - Azacycle - N-organohydroxylamine - Organoheterocyclic compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as arylhydroxamates. These are aromatic compounds containing an hydroxamate group attached to an aromatic moiety.
• 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

• Molekulargewicht: 127.100 g/mol
• XLogP3: -2.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 127.038 Da
• Monoisotopic Mass: 127.038 Da
• Topological Polar Surface Area: 73.700 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 184.000
• 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