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

• ChemBase ID: 270412
• Molecular Formular: C10H11ClN2O
• Molecular Mass: 210.66014
• Monoisotopic Mass: 210.05599066
• SMILES: c1(oc(nc1)CN)c1ccccc1.Cl
• Canonical SMILES: NCc1ncc(o1)c1ccccc1.Cl
• InChI: InChI=1S/C10H10N2O.ClH/c11-6-10-12-7-9(13-10)8-4-2-1-3-5-8;/h1-5,7H,6,11H2;1H
• InChIKey: FUOKTOLVQLITGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03923824
• PubChem SID: 164326322
• PubChem CID: 50988715

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1372244
• LogD (pH = 7.4): 0.40994766
• Log P: 0.68129855
• Molar Refractivity: 49.5815 cm^3
• Polarizability: 20.658213 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 225 - 227°C
• Hydrophobicity(logP): 0.871

Product Information

• Purity: 95%