N'-hydroxy-2-methoxypropanimidamide

• ChemBase ID: 286052
• Molecular Formular: C4H10N2O2
• Molecular Mass: 118.1344
• Monoisotopic Mass: 118.07422757
• SMILES: C(=N\O)(/C(OC)C)\N
• Canonical SMILES: CC(/C(=N/O)/N)OC
• InChI: InChI=1S/C4H10N2O2/c1-3(8-2)4(5)6-7/h3,7H,1-2H3,(H2,5,6)
• InChIKey: UGLCZPYLTOBSCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-hydroxy-2-methoxypropanimidamide; (E)-N'-hydroxy-2-methoxypropimidamide
• IUPAC Traditional name: N'-hydroxy-2-methoxypropanimidamide; (E)-N'-hydroxy-2-methoxypropimidamide
• Synonyms: N'-hydroxy-2-methoxypropanimidamide; (1E)-N'-hydroxy-2-methoxypropanimidamide

Database IDs

• MDL Number: MFCD22575214; MFCD16078779
• PubChem SID: 180671583
• PubChem CID: 59864337

CALCULATED PROPERTIES

• Acid pKa: 9.756921
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.62025356
• LogD (pH = 7.4): -0.57195795
• Log P: -0.5689992
• Molar Refractivity: 29.357 cm^3
• Polarizability: 11.410884 Å^3
• Polar Surface Area: 67.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 118 - 120°C
• Hydrophobicity(logP): -0.379

Product Information

• Purity: 95%