Isoxazol-5-amine - ≥98% , CAS No.14678-05-8

CAS: 14678-05-8 Cat. No.: I587306 Fórmula: C₃H₄N₂O Peso molecular: 84.08 Número CE: 238-720-4

GRAU & PUREZA ≥98%

Synonyms

Q63408794 | 5-Aminoisoxazole | AB9529 | AKOS009458758 | MB00706 | 5-Isoxazolamine | IAXWZYXUKABJAN-UHFFFAOYSA- | InChI=1/C3H4N2O/c4-3-1-2-5-6-3/h1-2H,4H2 | AM20080357 | isoxazole-5-amine | MFCD00128192 | EN300-99839 | 1,2-oxazol-5-amine | SY025478 | DTXSI

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Especificações

Sinónimos

Q63408794 | 5-Aminoisoxazole | AB9529 | AKOS009458758 | MB00706 | 5-Isoxazolamine | IAXWZYXUKABJAN-UHFFFAOYSA- | InChI=1/C3H4N2O/c4-3-1-2-5-6-3/h1-2H,4H2 | AM20080357 | isoxazole-5-amine | MFCD00128192 | EN300-99839 | 1,2-oxazol-5-amine | SY025478 | DTXSI

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light,Desiccated

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504755766

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755766

Sorrisos canónicos

C1=C(ON=C1)N

IUPAC Name

1,2-oxazol-5-amine

InChIKey

IAXWZYXUKABJAN-UHFFFAOYSA-N

INCHI

1S/C3H4N2O/c4-3-1-2-5-6-3/h1-2H,4H2

SMILES isoméricas

C1=C(ON=C1)N

Peso molecular

84.08

Reaxy-Rn

605754

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605754&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Isoxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Isoxazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoxazoles
• Alternative Parents: Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Isoxazole - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as isoxazoles. These are heterocyclic organic compounds containing an isoxazole moiety, with a structure characterized by a five-member aromatic ring with one oxygen atom and one nitrogen atom at ring positions 1 and 2, respectively.
• 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

Propriedades químicas e físicas

• Peso molecular: 84.080 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 84.0324 Da
• Monoisotopic Mass: 84.0324 Da
• Topological Polar Surface Area: 52.100 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 48.100
• 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