butyl(furan-2-ylmethyl)amine

• ChemBase ID: 312376
• Molecular Formular: C9H15NO
• Molecular Mass: 153.2215
• Monoisotopic Mass: 153.11536411
• SMILES: c1(occc1)CNCCCC
• Canonical SMILES: CCCCNCc1ccco1
• InChI: InChI=1S/C9H15NO/c1-2-3-6-10-8-9-5-4-7-11-9/h4-5,7,10H,2-3,6,8H2,1H3
• InChIKey: FTACOWCYJXGWAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butyl(furan-2-ylmethyl)amine
• IUPAC Traditional name: butyl(furan-2-ylmethyl)amine
• Synonyms: N-(2-furylmethyl)-1-butanamine

Database IDs

• CAS Number: 88230-53-9
• MDL Number: MFCD01924418

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.98065823
• LogD (pH = 7.4): 0.6403478
• Log P: 1.9157403
• Molar Refractivity: 45.5705 cm^3
• Polarizability: 17.924902 Å^3
• Polar Surface Area: 25.17 Å^2