dimethyl-1,3-oxazol-2-amine

• ChemBase ID: 245460
• Molecular Formular: C5H8N2O
• Molecular Mass: 112.12982
• Monoisotopic Mass: 112.06366289
• SMILES: n1c(oc(c1C)C)N
• Canonical SMILES: Nc1oc(c(n1)C)C
• InChI: InChI=1S/C5H8N2O/c1-3-4(2)8-5(6)7-3/h1-2H3,(H2,6,7)
• InChIKey: VHZVSAXCIKCRAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl-1,3-oxazol-2-amine
• IUPAC Traditional name: dimethyl-1,3-oxazol-2-amine
• Synonyms: 4,5-dimethyl-1,3-oxazol-2-amine; 4,5-dimethyloxazol-2-amine

Database IDs

• CAS Number: 45529-92-8
• MDL Number: MFCD06655295
• PubChem SID: 164301370
• PubChem CID: 535870

CALCULATED PROPERTIES

• Acid pKa: 15.010199
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.09882311
• LogD (pH = 7.4): 0.101360284
• Log P: 0.101392746
• Molar Refractivity: 30.6823 cm^3
• Polarizability: 11.012368 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 64 - 66°C
• Hydrophobicity(logP): -0.018

Product Information

• Purity: 95%; 97%; 98%