3-(cyclopentyloxy)-N'-hydroxy-4-methoxybenzene-1-carboximidamide

• ChemBase ID: 239606
• Molecular Formular: C13H18N2O3
• Molecular Mass: 250.29362
• Monoisotopic Mass: 250.13174245
• SMILES: c1(cc(/C(=N\O)/N)ccc1OC)OC1CCCC1
• Canonical SMILES: O/N=C(\c1ccc(c(c1)OC1CCCC1)OC)/N
• InChI: InChI=1S/C13H18N2O3/c1-17-11-7-6-9(13(14)15-16)8-12(11)18-10-4-2-3-5-10/h6-8,10,16H,2-5H2,1H3,(H2,14,15)
• InChIKey: IXCVJUBFNZUOPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclopentyloxy)-N'-hydroxy-4-methoxybenzene-1-carboximidamide
• IUPAC Traditional name: 3-(cyclopentyloxy)-N'-hydroxy-4-methoxybenzenecarboximidamide
• Synonyms: 3-(cyclopentyloxy)-N'-hydroxy-4-methoxybenzene-1-carboximidamide

Database IDs

• MDL Number: MFCD00830999
• PubChem SID: 164295516
• PubChem CID: 5716101

CALCULATED PROPERTIES

• Acid pKa: 9.723121
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.8025243
• LogD (pH = 7.4): 1.9255786
• Log P: 1.929892
• Molar Refractivity: 68.4198 cm^3
• Polarizability: 26.396381 Å^3
• Polar Surface Area: 77.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.154

Product Information

• Purity: 95%