{[6-(furan-2-yl)pyridin-3-yl]methyl}(methyl)amine

• ChemBase ID: 101362
• Molecular Formular: C11H12N2O
• Molecular Mass: 188.22578
• Monoisotopic Mass: 188.09496301
• SMILES: n1c(c2occc2)ccc(c1)CNC
• Canonical SMILES: CNCc1ccc(nc1)c1ccco1
• InChI: InChI=1S/C11H12N2O/c1-12-7-9-4-5-10(13-8-9)11-3-2-6-14-11/h2-6,8,12H,7H2,1H3
• InChIKey: UDZJNNURWGNFCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[6-(furan-2-yl)pyridin-3-yl]methyl}(methyl)amine
• IUPAC Traditional name: {[6-(furan-2-yl)pyridin-3-yl]methyl}(methyl)amine
• Synonyms: N-methyl-[6-(2-furyl)pyrid-3-yl]methylamine

Database IDs

• CAS Number: 886851-44-1
• MDL Number: MFCD09966149
• PubChem SID: 162089149
• PubChem CID: 42555940

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.691255
• LogD (pH = 7.4): -0.3354911
• Log P: 1.4072446
• Molar Refractivity: 54.3042 cm^3
• Polarizability: 22.494762 Å^3
• Polar Surface Area: 38.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%