2-hydroxyethanimidamide

• ChemBase ID: 264145
• Molecular Formular: C2H6N2O
• Molecular Mass: 74.08184
• Monoisotopic Mass: 74.04801282
• SMILES: C(=N)(N)CO
• Canonical SMILES: NC(=N)CO
• InChI: InChI=1S/C2H6N2O/c3-2(4)1-5/h5H,1H2,(H3,3,4)
• InChIKey: YSRCXLROFNRHLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxyethanimidamide
• IUPAC Traditional name: 2-hydroxyethanimidamide
• Synonyms: 2-hydroxyethanimidamide; 2-hydroxyacetimidamide

Database IDs

• CAS Number: 4746-60-5
• MDL Number: MFCD05663289
• PubChem SID: 164320055
• PubChem CID: 412910

CALCULATED PROPERTIES

• Acid pKa: 14.340402
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -4.1888356
• LogD (pH = 7.4): -3.9393985
• Log P: -1.7777082
• Molar Refractivity: 28.7622 cm^3
• Polarizability: 6.9522243 Å^3
• Polar Surface Area: 70.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.64

Product Information

• Purity: 95%; 98%