2-(1,2-oxazol-3-yl)ethan-1-amine hydrochloride

• ChemBase ID: 242959
• Molecular Formular: C5H9ClN2O
• Molecular Mass: 148.59076
• Monoisotopic Mass: 148.0403406
• SMILES: n1occc1CCN.Cl
• Canonical SMILES: NCCc1ccon1.Cl
• InChI: InChI=1S/C5H8N2O.ClH/c6-3-1-5-2-4-8-7-5;/h2,4H,1,3,6H2;1H
• InChIKey: HCFKITWOYQTYKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,2-oxazol-3-yl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-(1,2-oxazol-3-yl)ethanamine hydrochloride
• Synonyms: 2-(1,2-oxazol-3-yl)ethan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD19160593
• PubChem SID: 164298869
• PubChem CID: 55219145

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1992514
• LogD (pH = 7.4): -2.2106633
• Log P: -0.21795572
• Molar Refractivity: 30.1506 cm^3
• Polarizability: 11.454804 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.818

Product Information

• Purity: 95%