N,5-dimethyl-1,2-oxazol-3-amine hydrochloride

• ChemBase ID: 816118
• Molecular Formular: C5H9ClN2O
• Molecular Mass: 148.59076
• Monoisotopic Mass: 148.0403406
• SMILES: Cl.N(C)c1noc(c1)C
• Canonical SMILES: CNc1noc(c1)C.Cl
• InChI: InChI=1S/C5H8N2O.ClH/c1-4-3-5(6-2)7-8-4;/h3H,1-2H3,(H,6,7);1H
• InChIKey: JGFFLUKBVSLWSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,5-dimethyl-1,2-oxazol-3-amine hydrochloride
• IUPAC Traditional name: N,5-dimethyl-1,2-oxazol-3-amine hydrochloride
• Synonyms: (5-METHYL-ISOXAZOL-3-YL)-METHYLAMINE HYDROCHLORIDE

Database IDs

• CAS Number: 1050590-34-5

CALCULATED PROPERTIES

• Acid pKa: 17.880322
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.60429436
• LogD (pH = 7.4): 0.6045845
• Log P: 0.6045882
• Molar Refractivity: 33.157 cm^3
• Polarizability: 11.078689 Å^3
• Polar Surface Area: 38.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%