2-ethoxy-N'-hydroxypropanimidamide

• ChemBase ID: 275431
• Molecular Formular: C5H12N2O2
• Molecular Mass: 132.16098
• Monoisotopic Mass: 132.08987763
• SMILES: C(=N\O)(/C(OCC)C)\N
• Canonical SMILES: CC(/C(=N/O)/N)OCC
• InChI: InChI=1S/C5H12N2O2/c1-3-9-4(2)5(6)7-8/h4,8H,3H2,1-2H3,(H2,6,7)
• InChIKey: CVFWTYFIVVWAHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-N'-hydroxypropanimidamide
• IUPAC Traditional name: 2-ethoxy-N'-hydroxypropanimidamide
• Synonyms: 2-ethoxy-N'-hydroxypropanimidamide

Database IDs

• MDL Number: MFCD16078782
• PubChem SID: 164331341
• PubChem CID: 54593678

CALCULATED PROPERTIES

• Acid pKa: 9.831193
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.26250014
• LogD (pH = 7.4): -0.21479528
• Log P: -0.21219122
• Molar Refractivity: 34.1056 cm^3
• Polarizability: 13.233798 Å^3
• Polar Surface Area: 67.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 88 - 90°C
• Hydrophobicity(logP): 0.01

Product Information

• Purity: 95%