(Z)-N'-hydroxy-3-(morpholin-4-yl)propimidamide

• ChemBase ID: 260334
• Molecular Formular: C7H15N3O2
• Molecular Mass: 173.2129
• Monoisotopic Mass: 173.11642674
• SMILES: C(=N\O)(/CCN1CCOCC1)\N
• Canonical SMILES: O/N=C(/CCN1CCOCC1)\N
• InChI: InChI=1S/C7H15N3O2/c8-7(9-11)1-2-10-3-5-12-6-4-10/h11H,1-6H2,(H2,8,9)
• InChIKey: VGMYEKAPTYTGAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N'-hydroxy-3-(morpholin-4-yl)propimidamide
• IUPAC Traditional name: (Z)-N'-hydroxy-3-(morpholin-4-yl)propimidamide
• Synonyms: N'-hydroxy-3-(morpholin-4-yl)propanimidamide

Database IDs

• MDL Number: MFCD03033671
• PubChem SID: 164316244
• PubChem CID: 9568640

CALCULATED PROPERTIES

• Acid pKa: 11.817779
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -3.3151653
• LogD (pH = 7.4): -1.3725582
• Log P: -1.0536311
• Molar Refractivity: 45.6126 cm^3
• Polarizability: 17.7072 Å^3
• Polar Surface Area: 71.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 159 - 161°C
• Hydrophobicity(logP): -0.136

Product Information

• Purity: 95%