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

• ChemBase ID: 264276
• Molecular Formular: C5H9ClN2O
• Molecular Mass: 148.59076
• Monoisotopic Mass: 148.0403406
• SMILES: n1oc(cc1C)CN.Cl
• Canonical SMILES: Cc1cc(on1)CN.Cl
• InChI: InChI=1S/C5H8N2O.ClH/c1-4-2-5(3-6)8-7-4;/h2H,3,6H2,1H3;1H
• InChIKey: FZQPHVOBOIVWKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11506173
• PubChem SID: 164320186
• PubChem CID: 45792534

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6760468
• LogD (pH = 7.4): -0.9984169
• Log P: -0.48506907
• Molar Refractivity: 30.4424 cm^3
• Polarizability: 11.45233 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.658

Product Information

• Purity: 95%