N'-hydroxy-3-(morpholin-4-yl)-3-oxopropanimidamide

• ChemBase ID: 242342
• Molecular Formular: C7H13N3O3
• Molecular Mass: 187.19642
• Monoisotopic Mass: 187.09569129
• SMILES: C(=O)(C/C(=N/O)/N)N1CCOCC1
• Canonical SMILES: O/N=C(/CC(=O)N1CCOCC1)\N
• InChI: InChI=1S/C7H13N3O3/c8-6(9-12)5-7(11)10-1-3-13-4-2-10/h12H,1-5H2,(H2,8,9)
• InChIKey: JBHSPCXOARAMIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09047979
• PubChem SID: 164298252
• PubChem CID: 16775542

CALCULATED PROPERTIES

• Acid pKa: 10.259919
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.6709813
• LogD (pH = 7.4): -1.650439
• Log P: -1.6495043
• Molar Refractivity: 45.4439 cm^3
• Polarizability: 17.482433 Å^3
• Polar Surface Area: 88.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 147 - 149°C
• Hydrophobicity(logP): -0.883

Product Information

• Purity: 95%