4-(oxolan-2-yl)butan-1-amine

• ChemBase ID: 307612
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: O1C(CCCCN)CCC1
• Canonical SMILES: NCCCCC1CCCO1
• InChI: InChI=1S/C8H17NO/c9-6-2-1-4-8-5-3-7-10-8/h8H,1-7,9H2
• InChIKey: WZXMXJLBCUNKJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(oxolan-2-yl)butan-1-amine
• IUPAC Traditional name: 4-(oxolan-2-yl)butan-1-amine
• Synonyms: 4-(tetrahydrofuran-2-yl)butan-1-amine

Database IDs

• CAS Number: 5493-90-3
• MDL Number: MFCD09055359

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.208966
• LogD (pH = 7.4): -1.7891607
• Log P: 0.8150212
• Molar Refractivity: 42.2845 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 35.25 Å^2