ethyl(furan-3-ylmethyl)amine

• ChemBase ID: 268311
• Molecular Formular: C7H11NO
• Molecular Mass: 125.16834
• Monoisotopic Mass: 125.08406398
• SMILES: c1(cocc1)CNCC
• Canonical SMILES: CCNCc1cocc1
• InChI: InChI=1S/C7H11NO/c1-2-8-5-7-3-4-9-6-7/h3-4,6,8H,2,5H2,1H3
• InChIKey: IDSQNSWWKTUGEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11105985
• PubChem SID: 164324221
• PubChem CID: 23383580

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.0197878
• LogD (pH = 7.4): -0.56486315
• Log P: 1.0286481
• Molar Refractivity: 36.568 cm^3
• Polarizability: 14.236857 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.215

Product Information

• Purity: 95%