N'-hydroxy-2-methoxy-2-methylpropanimidamide

• ChemBase ID: 285239
• Molecular Formular: C5H12N2O2
• Molecular Mass: 132.16098
• Monoisotopic Mass: 132.08987763
• SMILES: C(=N\O)(/C(OC)(C)C)\N
• Canonical SMILES: COC(/C(=N/O)/N)(C)C
• InChI: InChI=1S/C5H12N2O2/c1-5(2,9-3)4(6)7-8/h8H,1-3H3,(H2,6,7)
• InChIKey: XSSXYTZTTODYLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-hydroxy-2-methoxy-2-methylpropanimidamide
• IUPAC Traditional name: N'-hydroxy-2-methoxy-2-methylpropanimidamide
• Synonyms: N'-hydroxy-2-methoxy-2-methylpropanimidamide

Database IDs

• MDL Number: MFCD20731219
• PubChem SID: 180670770
• PubChem CID: 56828117

CALCULATED PROPERTIES

• Acid pKa: 9.663863
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.19026065
• LogD (pH = 7.4): -0.13983034
• Log P: -0.13623329
• Molar Refractivity: 34.0703 cm^3
• Polarizability: 13.233798 Å^3
• Polar Surface Area: 67.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 104 - 106°C
• Hydrophobicity(logP): -0.07

Product Information

• Purity: 95%