N-methyl-1,3-oxazol-5-amine hydrochloride

• ChemBase ID: 798466
• Molecular Formular: C4H7ClN2O
• Molecular Mass: 134.56418
• Monoisotopic Mass: 134.02469053
• SMILES: Cl.N(C)c1ocnc1
• Canonical SMILES: CNc1cnco1.Cl
• InChI: InChI=1S/C4H6N2O.ClH/c1-5-4-2-6-3-7-4;/h2-3,5H,1H3;1H
• InChIKey: AWTSLWMSLJUXJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1,3-oxazol-5-amine hydrochloride
• IUPAC Traditional name: N-methyl-1,3-oxazol-5-amine hydrochloride
• Synonyms: oxazol-5-yl-methylamine hydrochloride

Database IDs

• CAS Number: 847491-00-3

CALCULATED PROPERTIES

• Acid pKa: 16.484484
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.52285606
• LogD (pH = 7.4): -0.5227944
• Log P: -0.52279365
• Molar Refractivity: 26.2145 cm^3
• Polarizability: 9.333537 Å^3
• Polar Surface Area: 38.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%; 98%