2-(4,5-dihydro-1,2-oxazol-3-yl)propan-2-amine

• ChemBase ID: 282254
• Molecular Formular: C6H12N2O
• Molecular Mass: 128.17228
• Monoisotopic Mass: 128.09496301
• SMILES: N1=C(C(N)(C)C)CCO1
• Canonical SMILES: CC(C1=NOCC1)(N)C
• InChI: InChI=1S/C6H12N2O/c1-6(2,7)5-3-4-9-8-5/h3-4,7H2,1-2H3
• InChIKey: SIYXLAVEVANSAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4,5-dihydro-1,2-oxazol-3-yl)propan-2-amine
• IUPAC Traditional name: 2-(4,5-dihydro-1,2-oxazol-3-yl)propan-2-amine
• Synonyms: 2-(4,5-dihydro-1,2-oxazol-3-yl)propan-2-amine

Database IDs

• MDL Number: MFCD17480529
• PubChem SID: 180667785
• PubChem CID: 50986508

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.4589732
• LogD (pH = 7.4): -1.3810681
• Log P: 0.50946236
• Molar Refractivity: 35.206 cm^3
• Polarizability: 14.000937 Å^3
• Polar Surface Area: 47.61 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.062

Product Information

• Purity: 95%