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

• ChemBase ID: 90311
• Molecular Formular: C11H12N2O
• Molecular Mass: 188.22578
• Monoisotopic Mass: 188.09496301
• SMILES: n1c(ccc(c1)c1ccco1)CNC
• Canonical SMILES: CNCc1ccc(cn1)c1ccco1
• InChI: InChI=1S/C11H12N2O/c1-12-8-10-5-4-9(7-13-10)11-3-2-6-14-11/h2-7,12H,8H2,1H3
• InChIKey: DOKOUBYFAJTDEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[5-(furan-2-yl)pyridin-2-yl]methyl}(methyl)amine
• IUPAC Traditional name: {[5-(furan-2-yl)pyridin-2-yl]methyl}(methyl)amine
• Synonyms: N-methyl[5-(2-furyl)pyrid-2-yl]methylamine; [5-(Fur-2-yl)pyridin-2-yl]-N-methylmethylamine; 5-(Fur-2-yl)-2-[methyl(aminomethyl)]pyridine 95%

Database IDs

• CAS Number: 892502-04-4
• MDL Number: MFCD10700054
• PubChem SID: 162077131
• PubChem CID: 26343611

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5823375
• LogD (pH = 7.4): 0.13075823
• Log P: 1.1028662
• Molar Refractivity: 54.154 cm^3
• Polarizability: 22.490765 Å^3
• Polar Surface Area: 38.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic/Corrosive

Product Information

• Purity: 90%