N'-hydroxy-2-(2-methylpropoxy)propanimidamide

• ChemBase ID: 284034
• Molecular Formular: C7H16N2O2
• Molecular Mass: 160.21414
• Monoisotopic Mass: 160.12117776
• SMILES: C(=N\O)(/C(OCC(C)C)C)\N
• Canonical SMILES: CC(/C(=N/O)/N)OCC(C)C
• InChI: InChI=1S/C7H16N2O2/c1-5(2)4-11-6(3)7(8)9-10/h5-6,10H,4H2,1-3H3,(H2,8,9)
• InChIKey: LKXIORWBCSAMKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-hydroxy-2-(2-methylpropoxy)propanimidamide
• IUPAC Traditional name: N'-hydroxy-2-(2-methylpropoxy)propanimidamide
• Synonyms: N'-hydroxy-2-(2-methylpropoxy)propanimidamide

Database IDs

• MDL Number: MFCD16078788
• PubChem SID: 180669565
• PubChem CID: 54595845

CALCULATED PROPERTIES

• Acid pKa: 9.945925
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.62511
• LogD (pH = 7.4): 0.6731246
• Log P: 0.675304
• Molar Refractivity: 43.1012 cm^3
• Polarizability: 16.892786 Å^3
• Polar Surface Area: 67.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 63 - 65°C
• Hydrophobicity(logP): 0.938

Product Information

• Purity: 95%