N-hydroxy-2-methylpropanimidamide

• ChemBase ID: 29929
• Molecular Formular: C4H10N2O
• Molecular Mass: 102.135
• Monoisotopic Mass: 102.07931295
• SMILES: C(=N)(C(C)C)NO
• Canonical SMILES: ONC(=N)C(C)C
• InChI: InChI=1S/C4H10N2O/c1-3(2)4(5)6-7/h3,7H,1-2H3,(H2,5,6)
• InChIKey: JHRDEHLFNLLCQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hydroxy-2-methylpropanimidamide
• IUPAC Traditional name: N-hydroxy-2-methylpropanimidamide
• Synonyms: N-Hydroxyisobutyramidine; N-Hydroxy-2-methylpropanimidamide; N-Hydroxyisobutyramidine; Isobutyramidoxime; N-Hydroxyisobutanamidine

Database IDs

• CAS Number: 35613-84-4
• MDL Number: MFCD03426251
• PubChem SID: 160993236
• PubChem CID: 9582835

CALCULATED PROPERTIES

• Acid pKa: 14.932075
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.9732744
• LogD (pH = 7.4): -0.7790899
• Log P: 0.34471357
• Molar Refractivity: 48.5188 cm^3
• Polarizability: 10.6000805 Å^3
• Polar Surface Area: 56.11 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 60-61°C°C

Safety Information

• Storage Warning: IRRITANT; Toxic/Harmful
• TSCA Listed: false

Product Information

• Purity: 95%