4-Aminoisoxazole hydrochloride

Base Information

• Chemical Name: 4-Aminoisoxazole hydrochloride
• CAS No.: 108511-98-4
• Molecular Formula: C₃H₄N₂O*ClH
• Molecular Weight: 120.538
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90549978
• Mol file: 108511-98-4.mol

Synonyms:4-Aminoisoxazole hydrochloride;108511-98-4;isoxazol-4-amine hydrochloride;Isoxazol-4-ylamine hydrochloride;C3H5ClN2O;1,2-oxazol-4-amine hydrochloride;1,2-oxazol-4-amine;hydrochloride;4-Isoxazolamine hydrochloride;4-Aminoisoxazole, HCl;MFCD09992881;4-Isoxazolamine, monohydrochloride;4-Aminoisoxazolehydrochloride;ISOXAZOL-4-AMINE HCL;LCZC2490;SCHEMBL3107394;DTXSID90549978;DPDLVZSIELSTBG-UHFFFAOYSA-N;isoxazol-4-amine hydrogen chloride;AKOS006223931;CS-W004673;GS-3740;SY112563;1,2-Oxazol-4-amine--hydrogen chloride (1/1);A895250;J-514428;F2198-0002

Chemical Property of 4-Aminoisoxazole hydrochloride

Chemical Property:

• Melting Point: 160-163 °C
• PSA: 52.05000
• LogP: 1.64000
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 120.0090405
• Heavy Atom Count: 7
• Complexity: 48.1

Purity/Quality:

98%min ^*data from raw suppliers

4-AminoisoxazoleHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NO1)N.Cl
• Uses: 4-Aminoisoxazole Hydrochloride is the salt form of 4-Aminoisoxazole (A612910), which is a reactant used in the design and synthesis of hydroxyethylene-based HIV-1 protease inhibitor containing a heterocyclic P1''-P2'' amide bond isostere. 4-Aminoisoxazole is also used in the development of pyrimidine derivatives as JAK3 inhibitors.