2-(1,2-oxazol-4-yl)ethan-1-amine hydrochloride

• ChemBase ID: 811119
• Molecular Formular: C5H9ClN2O
• Molecular Mass: 148.59076
• Monoisotopic Mass: 148.0403406
• SMILES: Cl.NCCc1cnoc1
• Canonical SMILES: NCCc1conc1.Cl
• InChI: InChI=1S/C5H8N2O.ClH/c6-2-1-5-3-7-8-4-5;/h3-4H,1-2,6H2;1H
• InChIKey: PKQPJWQIOQTKGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,2-oxazol-4-yl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-(1,2-oxazol-4-yl)ethanamine hydrochloride
• Synonyms: 2-ISOXAZOL-4-YL-ETHYLAMINE HCL

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2377484
• LogD (pH = 7.4): -2.3154762
• Log P: -0.24777915
• Molar Refractivity: 30.7284 cm^3
• Polarizability: 11.456169 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%