N-methyl-1,3-oxazol-2-amine hydrochloride

• ChemBase ID: 811140
• Molecular Formular: C4H7ClN2O
• Molecular Mass: 134.56418
• Monoisotopic Mass: 134.02469053
• SMILES: Cl.N(C)c1occn1
• Canonical SMILES: CNc1ncco1.Cl
• InChI: InChI=1S/C4H6N2O.ClH/c1-5-4-6-2-3-7-4;/h2-3H,1H3,(H,5,6);1H
• InChIKey: JBQKOQBGTZEXRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1,3-oxazol-2-amine hydrochloride
• IUPAC Traditional name: N-methyl-1,3-oxazol-2-amine hydrochloride
• Synonyms: OXAZOL-2-YL-METHYLAMINE HYDROCHLORIDE

Database IDs

• CAS Number: 1041053-44-4

CALCULATED PROPERTIES

• Acid pKa: 14.126137
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.072104424
• LogD (pH = 7.4): 0.07216449
• Log P: 0.07216533
• Molar Refractivity: 26.4345 cm^3
• Polarizability: 9.332533 Å^3
• Polar Surface Area: 38.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%