1-(5-phenyl-1,3-oxazol-2-yl)ethan-1-amine hydrochloride

• ChemBase ID: 277916
• Molecular Formular: C11H13ClN2O
• Molecular Mass: 224.68672
• Monoisotopic Mass: 224.07164073
• SMILES: n1c(oc(c1)c1ccccc1)C(N)C.Cl
• Canonical SMILES: CC(c1ncc(o1)c1ccccc1)N.Cl
• InChI: InChI=1S/C11H12N2O.ClH/c1-8(12)11-13-7-10(14-11)9-5-3-2-4-6-9;/h2-8H,12H2,1H3;1H
• InChIKey: RTZFFHFGTIDJNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-phenyl-1,3-oxazol-2-yl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 1-(5-phenyl-1,3-oxazol-2-yl)ethanamine hydrochloride
• Synonyms: 1-(5-phenyl-1,3-oxazol-2-yl)ethan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD19982453
• PubChem SID: 164333826
• PubChem CID: 53613690

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7846681
• LogD (pH = 7.4): 0.85239726
• Log P: 1.2500628
• Molar Refractivity: 54.0754 cm^3
• Polarizability: 22.504717 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 228 - 230°C
• Hydrophobicity(logP): 1.18

Product Information

• Purity: 95%