3-(oxolan-3-yl)propan-1-amine

• ChemBase ID: 307614
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: O1CC(CCCN)CC1
• Canonical SMILES: NCCCC1COCC1
• InChI: InChI=1S/C7H15NO/c8-4-1-2-7-3-5-9-6-7/h7H,1-6,8H2
• InChIKey: NQFUHISZSMKCHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(oxolan-3-yl)propan-1-amine
• IUPAC Traditional name: 3-(oxolan-3-yl)propan-1-amine
• Synonyms: 3-(tetrahydrofuran-3-yl)propan-1-amine

Database IDs

• CAS Number: 684221-29-2
• MDL Number: MFCD07773083

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7830844
• LogD (pH = 7.4): -2.3630974
• Log P: 0.24089664
• Molar Refractivity: 37.8133 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 35.25 Å^2