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

• ChemBase ID: 71987
• Molecular Formular: C7H10ClNO
• Molecular Mass: 159.6134
• Monoisotopic Mass: 159.04509163
• SMILES: C1C(C1)(c1cocc1)N.Cl
• Canonical SMILES: NC1(CC1)c1cocc1.Cl
• InChI: InChI=1S/C7H9NO.ClH/c8-7(2-3-7)6-1-4-9-5-6;/h1,4-5H,2-3,8H2;1H
• InChIKey: BUOQCLITPHKAKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-3-yl)cyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 1-(furan-3-yl)cyclopropan-1-amine hydrochloride
• Synonyms: [1-(3-Furyl)cyclopropyl]amine hydrochloride

Database IDs

• PubChem SID: 162104203
• PubChem CID: 71300002

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.2776554
• LogD (pH = 7.4): -0.96835726
• Log P: 0.628593
• Molar Refractivity: 34.1456 cm^3
• Polarizability: 13.50709 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT