2-(5-methylfuran-2-yl)ethan-1-amine

• ChemBase ID: 257410
• Molecular Formular: C7H11NO
• Molecular Mass: 125.16834
• Monoisotopic Mass: 125.08406398
• SMILES: o1c(ccc1C)CCN
• Canonical SMILES: Cc1ccc(o1)CCN
• InChI: InChI=1S/C7H11NO/c1-6-2-3-7(9-6)4-5-8/h2-3H,4-5,8H2,1H3
• InChIKey: KOFWQYALAZVVGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-methylfuran-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(5-methylfuran-2-yl)ethanamine
• Synonyms: 2-(5-methyl-2-furyl)ethanamine

Database IDs

• CAS Number: 30796-85-1
• MDL Number: MFCD08059767
• PubChem SID: 164313320
• PubChem CID: 14933778

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.5726218
• LogD (pH = 7.4): -1.6625347
• Log P: 0.41878197
• Molar Refractivity: 36.9374 cm^3
• Polarizability: 14.086718 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.108

Product Information

• Purity: 95%