1-(furan-2-yl)ethan-1-amine hydrochloride

• ChemBase ID: 256444
• Molecular Formular: C6H10ClNO
• Molecular Mass: 147.6027
• Monoisotopic Mass: 147.04509163
• SMILES: c1(occc1)C(N)C.Cl
• Canonical SMILES: CC(c1ccco1)N.Cl
• InChI: InChI=1S/C6H9NO.ClH/c1-5(7)6-3-2-4-8-6;/h2-5H,7H2,1H3;1H
• InChIKey: UFAOJKNUGVYXLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-yl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 1-(furan-2-yl)ethanamine hydrochloride
• Synonyms: 1-(2-furyl)ethanamine hydrochloride

Database IDs

• MDL Number: MFCD10686894
• PubChem SID: 164312354
• PubChem CID: 43810638

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.023494
• LogD (pH = 7.4): -0.37047857
• Log P: 0.57583594
• Molar Refractivity: 31.3411 cm^3
• Polarizability: 12.395025 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 120 - 122°C
• Hydrophobicity(logP): 0.579

Product Information

• Purity: 95%