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

• ChemBase ID: 308793
• Molecular Formular: C6H12N2O
• Molecular Mass: 128.17228
• Monoisotopic Mass: 128.09496301
• SMILES: N1=C(CC(O1)CN)CC
• Canonical SMILES: NCC1ON=C(C1)CC
• InChI: InChI=1S/C6H12N2O/c1-2-5-3-6(4-7)9-8-5/h6H,2-4,7H2,1H3
• InChIKey: OSTRPKKMBVWFFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1160245-60-2
• MDL Number: MFCD11215436

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.5541806
• LogD (pH = 7.4): -1.3754052
• Log P: 0.39538118
• Molar Refractivity: 34.886 cm^3
• Polarizability: 14.000937 Å^3
• Polar Surface Area: 47.61 Å^2