4-Isoxazolamine - ≥97% , CAS No.108511-97-3

CAS: 108511-97-3 Cat. No.: I586339 Summenformel: C₃H₄N₂O Molekulargewicht: 84.08 EG-Nummer: 808-460-1

GRADE & PURITY ≥97%

Synonyms

AKOS007930457 | FT-0649457 | 4-ISOXAZOLAMINE | AS-56732 | ISOXAZOL-4-YLAMINE | 4-Aminoisoxazole | Isoxazol-4-amine | MFCD08234629 | CVCYZCBJCQXUCN-UHFFFAOYSA-N | 4-Aminoisoxazole, AldrichCPR | AMY15221 | SY041839 | A801888 | EN300-44060 | 1,2-oxazol-4-ami

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

AKOS007930457 | FT-0649457 | 4-ISOXAZOLAMINE | AS-56732 | ISOXAZOL-4-YLAMINE | 4-Aminoisoxazole | Isoxazol-4-amine | MFCD08234629 | CVCYZCBJCQXUCN-UHFFFAOYSA-N | 4-Aminoisoxazole, AldrichCPR | AMY15221 | SY041839 | A801888 | EN300-44060 | 1,2-oxazol-4-ami

Spezifikationen & Reinheit

≥97%

Storage

Protected from light,Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 528760072
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528760072
• Kanonisches Lächeln: C1=C(C=NO1)N
• IUPAC Name: 1,2-oxazol-4-amine
• InChIKey: CVCYZCBJCQXUCN-UHFFFAOYSA-N
• INCHI: 1S/C3H4N2O/c4-3-1-5-6-2-3/h1-2H,4H2
• Isomere SMILES: C1=C(C=NO1)N
• Alternative CAS-Nummer: 108511-97-3
• Molekulargewicht: 84.08
• Reaxy-Rn: 6268164
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6268164&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azoles
• Subclass: Isoxazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoxazoles
• Alternative Parents: Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Primary amines Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Isoxazole - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.53 (Predicted)
• Siedepunkt (°C): ~234.7° C at 760 mmHg (Predicted)
• Schmelzpunkt (°C): 19.52° C (Predicted)
• Molekulargewicht: 84.080 g/mol
• XLogP3: -0.300
• 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