3-(furan-2-ylmethoxy)propan-1-amine

• ChemBase ID: 250096
• Molecular Formular: C8H13NO2
• Molecular Mass: 155.19432
• Monoisotopic Mass: 155.09462866
• SMILES: c1(occc1)COCCCN
• Canonical SMILES: NCCCOCc1ccco1
• InChI: InChI=1S/C8H13NO2/c9-4-2-5-10-7-8-3-1-6-11-8/h1,3,6H,2,4-5,7,9H2
• InChIKey: XIXUSXFSSJKRQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(furan-2-ylmethoxy)propan-1-amine
• IUPAC Traditional name: 3-(furan-2-ylmethoxy)propan-1-amine
• Synonyms: 3-(2-furylmethoxy)propan-1-amine

Database IDs

• MDL Number: MFCD07339191
• PubChem SID: 164306006
• PubChem CID: 7130656

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8502147
• LogD (pH = 7.4): -2.388145
• Log P: 0.17224513
• Molar Refractivity: 42.8312 cm^3
• Polarizability: 16.77475 Å^3
• Polar Surface Area: 48.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 16 - 18°C
• Hydrophobicity(logP): 0.831

Product Information

• Purity: 95%