(3,5-dimethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine

• ChemBase ID: 308679
• Molecular Formular: C6H12N2O
• Molecular Mass: 128.17228
• Monoisotopic Mass: 128.09496301
• SMILES: N1=C(CC(O1)(CN)C)C
• Canonical SMILES: CC1(CN)CC(=NO1)C
• InChI: InChI=1S/C6H12N2O/c1-5-3-6(2,4-7)9-8-5/h3-4,7H2,1-2H3
• InChIKey: GDFCBGWOVRCZAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,5-dimethyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
• IUPAC Traditional name: (3,5-dimethyl-4H-1,2-oxazol-5-yl)methanamine
• Synonyms: 1-(3,5-dimethyl-4,5-dihydro-5-isoxazolyl)methanamine

Database IDs

• CAS Number: 1160246-57-0
• MDL Number: MFCD11215432

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.9843855
• LogD (pH = 7.4): -1.8488307
• Log P: -0.024577994
• Molar Refractivity: 34.8973 cm^3
• Polarizability: 14.000937 Å^3
• Polar Surface Area: 47.61 Å^2