3-hydroxypropanimidamide

• ChemBase ID: 264201
• Molecular Formular: C3H8N2O
• Molecular Mass: 88.10842
• Monoisotopic Mass: 88.06366289
• SMILES: C(=N)(CCO)N
• Canonical SMILES: NC(=N)CCO
• InChI: InChI=1S/C3H8N2O/c4-3(5)1-2-6/h6H,1-2H2,(H3,4,5)
• InChIKey: PFDXDMXJMLPQIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydroxypropanimidamide
• IUPAC Traditional name: 3-hydroxypropanimidamide
• Synonyms: 3-hydroxypropanimidamide

Database IDs

• MDL Number: MFCD05663167
• PubChem SID: 164320111
• PubChem CID: 4394752

CALCULATED PROPERTIES

• Acid pKa: 15.835229
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -3.956137
• LogD (pH = 7.4): -3.9547794
• Log P: -1.5406954
• Molar Refractivity: 33.4616 cm^3
• Polarizability: 8.7723 Å^3
• Polar Surface Area: 70.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.71

Product Information

• Purity: 95%