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

CAS: 14678-05-8 Cat. No.: I587306 Formule: C₃H₄N₂O Poids moléculaire: 84.08 Numéro CE: 238-720-4

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

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

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504755766

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

C1=C(ON=C1)N

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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