N'-hydroxy-3-(2-methylmorpholin-4-yl)-3-oxopropanimidamide

• ChemBase ID: 242885
• Molecular Formular: C8H15N3O3
• Molecular Mass: 201.223
• Monoisotopic Mass: 201.11134136
• SMILES: C(=O)(N1CC(OCC1)C)C/C(=N/O)/N
• Canonical SMILES: O/N=C(/CC(=O)N1CCOC(C1)C)\N
• InChI: InChI=1S/C8H15N3O3/c1-6-5-11(2-3-14-6)8(12)4-7(9)10-13/h6,13H,2-5H2,1H3,(H2,9,10)
• InChIKey: UXJYVQBQXMPOGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-hydroxy-3-(2-methylmorpholin-4-yl)-3-oxopropanimidamide
• IUPAC Traditional name: N'-hydroxy-3-(2-methylmorpholin-4-yl)-3-oxopropanimidamide
• Synonyms: N'-hydroxy-3-(2-methylmorpholin-4-yl)-3-oxopropanimidamide

Database IDs

• MDL Number: MFCD11208240
• PubChem SID: 164298795
• PubChem CID: 43155994

CALCULATED PROPERTIES

• Acid pKa: 10.332571
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.2543974
• LogD (pH = 7.4): -1.2337638
• Log P: -1.2329293
• Molar Refractivity: 49.8627 cm^3
• Polarizability: 19.300652 Å^3
• Polar Surface Area: 88.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.364

Product Information

• Purity: 95%