(Z)-N'-hydroxy-2-(morpholin-4-yl)ethenimidamide

• ChemBase ID: 117700
• Molecular Formular: C6H13N3O2
• Molecular Mass: 159.18632
• Monoisotopic Mass: 159.10077667
• SMILES: C(=N\O)(/CN1CCOCC1)\N
• Canonical SMILES: O/N=C(/CN1CCOCC1)\N
• InChI: InChI=1S/C6H13N3O2/c7-6(8-10)5-9-1-3-11-4-2-9/h10H,1-5H2,(H2,7,8)
• InChIKey: FOJBQTQQONWJDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N'-hydroxy-2-(morpholin-4-yl)ethenimidamide
• IUPAC Traditional name: (Z)-N'-hydroxy-2-(morpholin-4-yl)ethenimidamide
• Synonyms: N'-hydroxy-2-(morpholin-4-yl)ethanimidamide; (1Z)-N'-hydroxy-2-(4-morpholinyl)ethanimidamide; (1Z)-N'-hydroxy-2-morpholin-4-ylethanimidamide

Database IDs

• CAS Number: 5815-63-4
• MDL Number: MFCD09948347
• PubChem SID: 162089663
• PubChem CID: 24708707

CALCULATED PROPERTIES

• Acid pKa: 10.893837
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.5361538
• LogD (pH = 7.4): -1.2949332
• Log P: -1.2906438
• Molar Refractivity: 40.9132 cm^3
• Polarizability: 15.879047 Å^3
• Polar Surface Area: 71.08 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.88
• Hydrophobicity(logP): -0.351

Product Information

• Purity: 95%; 95+%