3-amino-1-(furan-2-yl)butan-1-ol

• ChemBase ID: 237865
• Molecular Formular: C8H13NO2
• Molecular Mass: 155.19432
• Monoisotopic Mass: 155.09462866
• SMILES: c1(C(CC(N)C)O)occc1
• Canonical SMILES: CC(CC(c1ccco1)O)N
• InChI: InChI=1S/C8H13NO2/c1-6(9)5-7(10)8-3-2-4-11-8/h2-4,6-7,10H,5,9H2,1H3
• InChIKey: WAFBZZZRVPRDGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-1-(furan-2-yl)butan-1-ol
• IUPAC Traditional name: 3-amino-1-(furan-2-yl)butan-1-ol
• Synonyms: 3-amino-1-(furan-2-yl)butan-1-ol

Database IDs

• MDL Number: MFCD22375288
• PubChem SID: 164293775
• PubChem CID: 71756031

CALCULATED PROPERTIES

• LogD (pH = 5.5): -3.009067
• LogD (pH = 7.4): -2.3780477
• Log P: 0.0054607177
• Molar Refractivity: 42.169 cm^3
• Polarizability: 16.702988 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 13.3747835
• H Acceptors: 2
• H Donor: 2

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.116

Product Information

• Purity: 95%