3-(2-aminoethyl)-1,3-oxazolidin-2-one

• ChemBase ID: 307150
• Molecular Formular: C5H10N2O2
• Molecular Mass: 130.1451
• Monoisotopic Mass: 130.07422757
• SMILES: C1(=O)N(CCO1)CCN
• Canonical SMILES: NCCN1CCOC1=O
• InChI: InChI=1S/C5H10N2O2/c6-1-2-7-3-4-9-5(7)8/h1-4,6H2
• InChIKey: DHBLPXDQGFMAFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-aminoethyl)-1,3-oxazolidin-2-one
• IUPAC Traditional name: 3-(2-aminoethyl)-1,3-oxazolidin-2-one
• Synonyms: 3-(2-aminoethyl)-1,3-oxazolidin-2-one

Database IDs

• CAS Number: 141778-93-0
• MDL Number: MFCD09864304

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.8719056
• LogD (pH = 7.4): -2.6702657
• Log P: -0.9321538
• Molar Refractivity: 31.8637 cm^3
• Polarizability: 12.694801 Å^3
• Polar Surface Area: 55.56 Å^2