1-(furan-3-yl)ethan-1-amine hydrochloride

• ChemBase ID: 240265
• Molecular Formular: C6H10ClNO
• Molecular Mass: 147.6027
• Monoisotopic Mass: 147.04509163
• SMILES: c1(cocc1)C(N)C.Cl
• Canonical SMILES: CC(c1cocc1)N.Cl
• InChI: InChI=1S/C6H9NO.ClH/c1-5(7)6-2-3-8-4-6;/h2-5H,7H2,1H3;1H
• InChIKey: VAUYLMGGLPAIED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-3-yl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 1-(furan-3-yl)ethanamine hydrochloride
• Synonyms: 1-(furan-3-yl)ethan-1-amine hydrochloride; 1-(furan-3-yl)ethanamine hydrochloride

Database IDs

• CAS Number: 1196154-46-7
• MDL Number: MFCD13188641
• PubChem SID: 164296175
• PubChem CID: 71756511

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.27958
• LogD (pH = 7.4): -1.0617665
• Log P: 0.6558348
• Molar Refractivity: 31.4636 cm^3
• Polarizability: 12.394205 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.579

Product Information

• Purity: 95%; 98%