(5-methyl-1,3-oxazol-4-yl)methanamine hydrochloride

• ChemBase ID: 813859
• Molecular Formular: C5H9ClN2O
• Molecular Mass: 148.59076
• Monoisotopic Mass: 148.0403406
• SMILES: Cl.C(N)c1ncoc1C
• Canonical SMILES: Cc1ocnc1CN.Cl
• InChI: InChI=1S/C5H8N2O.ClH/c1-4-5(2-6)7-3-8-4;/h3H,2,6H2,1H3;1H
• InChIKey: UAFXCRDHQBOXIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-methyl-1,3-oxazol-4-yl)methanamine hydrochloride
• IUPAC Traditional name: (5-methyl-1,3-oxazol-4-yl)methanamine hydrochloride
• Synonyms: (5-methyloxazol-4-yl)methanamine hydrochloride

Database IDs

• CAS Number: 1196151-54-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1363354
• LogD (pH = 7.4): -1.4477454
• Log P: -0.6780611
• Molar Refractivity: 29.8683 cm^3
• Polarizability: 11.452311 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%