N-[1-(furan-2-yl)ethyl]cyclopropanamine hydrochloride

• ChemBase ID: 262891
• Molecular Formular: C9H14ClNO
• Molecular Mass: 187.66656
• Monoisotopic Mass: 187.07639175
• SMILES: c1(occc1)C(NC1CC1)C.Cl
• Canonical SMILES: CC(c1ccco1)NC1CC1.Cl
• InChI: InChI=1S/C9H13NO.ClH/c1-7(10-8-4-5-8)9-3-2-6-11-9;/h2-3,6-8,10H,4-5H2,1H3;1H
• InChIKey: YCGKMGCRNMJMBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(furan-2-yl)ethyl]cyclopropanamine hydrochloride
• IUPAC Traditional name: N-[1-(furan-2-yl)ethyl]cyclopropanamine hydrochloride
• Synonyms: N-[1-(furan-2-yl)ethyl]cyclopropanamine hydrochloride

Database IDs

• MDL Number: MFCD13195913
• PubChem SID: 164318801
• PubChem CID: 45792190

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1290206
• LogD (pH = 7.4): 0.5985571
• Log P: 1.4739809
• Molar Refractivity: 43.3269 cm^3
• Polarizability: 17.192282 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.579

Product Information

• Purity: 95%