(furan-3-ylmethyl)(oxolan-2-ylmethyl)amine

• ChemBase ID: 16873
• Molecular Formular: C10H15NO2
• Molecular Mass: 181.2316
• Monoisotopic Mass: 181.11027873
• SMILES: c1(CNCC2CCCO2)ccoc1
• Canonical SMILES: C1COC(C1)CNCc1cocc1
• InChI: InChI=1S/C10H15NO2/c1-2-10(13-4-1)7-11-6-9-3-5-12-8-9/h3,5,8,10-11H,1-2,4,6-7H2
• InChIKey: WBDDEGSGJCEMOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (furan-3-ylmethyl)(oxolan-2-ylmethyl)amine
• IUPAC Traditional name: (furan-3-ylmethyl)(oxolan-2-ylmethyl)amine
• Synonyms: Furan-3-ylmethyl-(tetrahydro-furan-2-ylmethyl)-amine

Database IDs

• MDL Number: MFCD05861756
• PubChem SID: 160980180
• PubChem CID: 3156818

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7779378
• LogD (pH = 7.4): -0.13837588
• Log P: 1.0904292
• Molar Refractivity: 50.0741 cm^3
• Polarizability: 19.728537 Å^3
• Polar Surface Area: 34.4 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false