N-(furan-2-ylmethyl)cyclopropanamine

• ChemBase ID: 122354
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: C1(CC1)NCc1occc1
• Canonical SMILES: c1coc(c1)CNC1CC1
• InChI: InChI=1S/C8H11NO/c1-2-8(10-5-1)6-9-7-3-4-7/h1-2,5,7,9H,3-4,6H2
• InChIKey: QDPDMHNZROESOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)cyclopropanamine
• IUPAC Traditional name: N-(furan-2-ylmethyl)cyclopropanamine
• Synonyms: N-(furan-2-ylmethyl)cyclopropanamine; N-(2-furylmethyl)cyclopropanamine

Database IDs

• MDL Number: MFCD07410492
• PubChem SID: 162216707
• PubChem CID: 4722630

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4780701
• LogD (pH = 7.4): 0.25521258
• Log P: 1.0574058
• Molar Refractivity: 38.9081 cm^3
• Polarizability: 15.350117 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.04

Product Information

• Purity: 95%