(Z)-N'-hydroxy-2-(4-methylpiperazin-1-yl)ethenimidamide

• ChemBase ID: 308696
• Molecular Formular: C7H16N4O
• Molecular Mass: 172.22814
• Monoisotopic Mass: 172.13241115
• SMILES: C(=N\O)(/CN1CCN(CC1)C)\N
• Canonical SMILES: O/N=C(/CN1CCN(CC1)C)\N
• InChI: InChI=1S/C7H16N4O/c1-10-2-4-11(5-3-10)6-7(8)9-12/h12H,2-6H2,1H3,(H2,8,9)
• InChIKey: OCKWQPYGAAJALM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N'-hydroxy-2-(4-methylpiperazin-1-yl)ethenimidamide
• IUPAC Traditional name: (Z)-N'-hydroxy-2-(4-methylpiperazin-1-yl)ethenimidamide
• Synonyms: (1Z)-N'-hydroxy-2-(4-methyl-1-piperazinyl)ethanimidamide

Database IDs

• CAS Number: 650579-66-1
• MDL Number: MFCD09934025

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -3.3642523
• LogD (pH = 7.4): -1.6449612
• Log P: -1.2250239
• Molar Refractivity: 47.8888 cm^3
• Polarizability: 18.51303 Å^3
• Polar Surface Area: 65.09 Å^2