1-(furan-3-yl)ethan-1-amine

• ChemBase ID: 811080
• Molecular Formular: C6H9NO
• Molecular Mass: 111.14176
• Monoisotopic Mass: 111.06841391
• SMILES: NC(C)c1cocc1
• Canonical SMILES: CC(c1cocc1)N
• InChI: InChI=1S/C6H9NO/c1-5(7)6-2-3-8-4-6/h2-5H,7H2,1H3
• InChIKey: SBVKKZRVKMOURL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-3-yl)ethan-1-amine
• IUPAC Traditional name: 1-(furan-3-yl)ethanamine
• Synonyms: 1-FURAN-3-YL-ETHYLAMINE

Database IDs

• CAS Number: 252372-09-1

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.27958
• LogD (pH = 7.4): -1.0617665
• Log P: 0.6558348
• Molar Refractivity: 31.4636 cm^3
• Polarizability: 12.394205 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%