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

• ChemBase ID: 71920
• Molecular Formular: C5H9ClN2O
• Molecular Mass: 148.59076
• Monoisotopic Mass: 148.0403406
• SMILES: n1c(oc(c1C)C)N.Cl
• Canonical SMILES: Nc1oc(c(n1)C)C.Cl
• InChI: InChI=1S/C5H8N2O.ClH/c1-3-4(2)8-5(6)7-3;/h1-2H3,(H2,6,7);1H
• InChIKey: RHYYPSUXYLYBFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl-1,3-oxazol-2-amine hydrochloride
• IUPAC Traditional name: dimethyl-1,3-oxazol-2-amine hydrochloride
• Synonyms: 4,5-Dimethyl-1,3-oxazol-2-amine hydrochloride

Database IDs

• CAS Number: 45529-92-8
• MDL Number: MFCD06655295
• PubChem SID: 162037236
• PubChem CID: 13554858

CALCULATED PROPERTIES

• Acid pKa: 15.010199
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.098824464
• LogD (pH = 7.4): 0.1013603
• Log P: 0.101392746
• Molar Refractivity: 30.6823 cm^3
• Polarizability: 11.012368 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT