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

• ChemBase ID: 269843
• Molecular Formular: C6H12N2O2
• Molecular Mass: 144.17168
• Monoisotopic Mass: 144.08987763
• SMILES: C1(=O)N(CCCN)CCO1
• Canonical SMILES: NCCCN1CCOC1=O
• InChI: InChI=1S/C6H12N2O2/c7-2-1-3-8-4-5-10-6(8)9/h1-5,7H2
• InChIKey: CGWMNQRJDFNOCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11131200
• PubChem SID: 164325753
• PubChem CID: 28395395

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.8807113
• LogD (pH = 7.4): -3.1563733
• Log P: -0.87219405
• Molar Refractivity: 36.7291 cm^3
• Polarizability: 14.520407 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.351

Product Information

• Purity: 95%