1-(1,2-oxazol-5-yl)ethan-1-amine hydrochloride

• ChemBase ID: 811088
• Molecular Formular: C5H9ClN2O
• Molecular Mass: 148.59076
• Monoisotopic Mass: 148.0403406
• SMILES: Cl.NC(C)c1oncc1
• Canonical SMILES: CC(c1ccno1)N.Cl
• InChI: InChI=1S/C5H8N2O.ClH/c1-4(6)5-2-3-7-8-5;/h2-4H,6H2,1H3;1H
• InChIKey: BHKBLBIVGMDGTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1,2-oxazol-5-yl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 1-(1,2-oxazol-5-yl)ethanamine hydrochloride
• Synonyms: 1-ISOXAZOL-5-YL-ETHYLAMINE HCL

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5772824
• LogD (pH = 7.4): -0.8829288
• Log P: -0.1998642
• Molar Refractivity: 30.2697 cm^3
• Polarizability: 11.529021 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%