(furan-2-ylmethyl)(propyl)amine

• ChemBase ID: 312381
• Molecular Formular: C8H13NO
• Molecular Mass: 139.19492
• Monoisotopic Mass: 139.09971404
• SMILES: c1(occc1)CNCCC
• Canonical SMILES: CCCNCc1ccco1
• InChI: InChI=1S/C8H13NO/c1-2-5-9-7-8-4-3-6-10-8/h3-4,6,9H,2,5,7H2,1H3
• InChIKey: LPPWAQZJYMWSHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (furan-2-ylmethyl)(propyl)amine
• IUPAC Traditional name: (furan-2-ylmethyl)(propyl)amine
• Synonyms: (2-furylmethyl)propylamine

Database IDs

• CAS Number: 39191-12-3
• MDL Number: MFCD07410480

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4033145
• LogD (pH = 7.4): 0.23241338
• Log P: 1.4711716
• Molar Refractivity: 40.9695 cm^3
• Polarizability: 16.080904 Å^3
• Polar Surface Area: 25.17 Å^2