(furan-3-ylmethyl)(methyl)amine

• ChemBase ID: 262098
• Molecular Formular: C6H9NO
• Molecular Mass: 111.14176
• Monoisotopic Mass: 111.06841391
• SMILES: c1(cocc1)CNC
• Canonical SMILES: CNCc1cocc1
• InChI: InChI=1S/C6H9NO/c1-7-4-6-2-3-8-5-6/h2-3,5,7H,4H2,1H3
• InChIKey: YDXZHRKIFGGQDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (furan-3-ylmethyl)(methyl)amine
• IUPAC Traditional name: (furan-3-ylmethyl)(methyl)amine
• Synonyms: (furan-3-ylmethyl)(methyl)amine

Database IDs

• MDL Number: MFCD08065551
• PubChem SID: 164318008
• PubChem CID: 13112617

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.347559
• LogD (pH = 7.4): -0.84889066
• Log P: 0.6718402
• Molar Refractivity: 31.8194 cm^3
• Polarizability: 12.394587 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.686

Product Information

• Purity: 95%