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

• ChemBase ID: 236630
• Molecular Formular: C7H11NO
• Molecular Mass: 125.16834
• Monoisotopic Mass: 125.08406398
• SMILES: c1(cocc1)CC(N)C
• Canonical SMILES: CC(Cc1cocc1)N
• InChI: InChI=1S/C7H11NO/c1-6(8)4-7-2-3-9-5-7/h2-3,5-6H,4,8H2,1H3
• InChIKey: PLXMPVWLDQPMCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08452744
• PubChem SID: 164292540
• PubChem CID: 63203360

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.0689414
• LogD (pH = 7.4): -1.4193137
• Log P: 0.944496
• Molar Refractivity: 36.2186 cm^3
• Polarizability: 14.16114 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.918

Product Information

• Purity: 95%