2-(oxolan-3-yl)ethan-1-amine

• ChemBase ID: 309150
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: O1CC(CCN)CC1
• Canonical SMILES: NCCC1COCC1
• InChI: InChI=1S/C6H13NO/c7-3-1-6-2-4-8-5-6/h6H,1-5,7H2
• InChIKey: CNWVPUYTZPMEDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(oxolan-3-yl)ethan-1-amine
• IUPAC Traditional name: 2-(oxolan-3-yl)ethanamine
• Synonyms: 2-(tetrahydro-3-furanyl)ethanamine

Database IDs

• CAS Number: 770709-01-8
• MDL Number: MFCD08449580

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2274334
• LogD (pH = 7.4): -2.801103
• Log P: -0.20367202
• Molar Refractivity: 33.2123 cm^3
• Polarizability: 13.269628 Å^3
• Polar Surface Area: 35.25 Å^2