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

• ChemBase ID: 244982
• Molecular Formular: C5H9ClN2O
• Molecular Mass: 148.59076
• Monoisotopic Mass: 148.0403406
• SMILES: n1c(cco1)C(N)C.Cl
• Canonical SMILES: CC(c1ccon1)N.Cl
• InChI: InChI=1S/C5H8N2O.ClH/c1-4(6)5-2-3-8-7-5;/h2-4H,6H2,1H3;1H
• InChIKey: FRLMVSZWXJFDFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08276220
• PubChem SID: 164300892
• PubChem CID: 55253351

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5116189
• LogD (pH = 7.4): -0.8697784
• Log P: 0.11379579
• Molar Refractivity: 29.9451 cm^3
• Polarizability: 11.529037 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.618

Product Information

• Purity: 95%