(Z)-N'-hydroxycyclopent-1-carboximidamide

• ChemBase ID: 258137
• Molecular Formular: C6H12N2O
• Molecular Mass: 128.17228
• Monoisotopic Mass: 128.09496301
• SMILES: C(=N\O)(/C1CCCC1)\N
• Canonical SMILES: O/N=C(/C1CCCC1)\N
• InChI: InChI=1S/C6H12N2O/c7-6(8-9)5-3-1-2-4-5/h5,9H,1-4H2,(H2,7,8)
• InChIKey: FJABAFACLDVRTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N'-hydroxycyclopent-1-carboximidamide
• IUPAC Traditional name: (Z)-N'-hydroxycyclopent-1-carboximidamide
• Synonyms: N'-hydroxycyclopentanecarboximidamide

Database IDs

• CAS Number: 99623-12-8
• MDL Number: MFCD03426265
• PubChem SID: 164314047
• PubChem CID: 14801676

CALCULATED PROPERTIES

• Acid pKa: 12.036596
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.1748677
• LogD (pH = 7.4): 0.6922419
• Log P: 0.7052917
• Molar Refractivity: 35.0109 cm^3
• Polarizability: 13.618962 Å^3
• Polar Surface Area: 58.61 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 74 - 76°C
• Hydrophobicity(logP): 1.061

Product Information

• Purity: 95%