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

• ChemBase ID: 55746
• Molecular Formular: C7H10ClNO
• Molecular Mass: 159.6134
• Monoisotopic Mass: 159.04509163
• SMILES: C1C(C1)(c1occc1)N.Cl
• Canonical SMILES: NC1(CC1)c1ccco1.Cl
• InChI: InChI=1S/C7H9NO.ClH/c8-7(3-4-7)6-2-1-5-9-6;/h1-2,5H,3-4,8H2;1H
• InChIKey: FVUNBOONUXNMSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-yl)cyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 1-(furan-2-yl)cyclopropan-1-amine hydrochloride
• Synonyms: [1-(2-Furyl)cyclopropyl]amine hydrochloride

Database IDs

• MDL Number: MFCD19103325
• PubChem SID: 162060509
• PubChem CID: 56773732

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.9700768
• LogD (pH = 7.4): -0.2921966
• Log P: 0.5485941
• Molar Refractivity: 34.0231 cm^3
• Polarizability: 13.507983 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false