2-hydroxyethanimidamide hydrochloride

• ChemBase ID: 264170
• Molecular Formular: C2H7ClN2O
• Molecular Mass: 110.54278
• Monoisotopic Mass: 110.02469053
• SMILES: C(=N)(N)CO.Cl
• Canonical SMILES: NC(=N)CO.Cl
• InChI: InChI=1S/C2H6N2O.ClH/c3-2(4)1-5;/h5H,1H2,(H3,3,4);1H
• InChIKey: DRWDZFNIPARKSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxyethanimidamide hydrochloride
• IUPAC Traditional name: 2-hydroxyethanimidamide hydrochloride
• Synonyms: 2-hydroxyethanimidamide hydrochloride

Database IDs

• MDL Number: MFCD02856524
• PubChem SID: 164320080
• PubChem CID: 12217366

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

• Melting Point: 143 - 145°C
• Hydrophobicity(logP): -1.64

Product Information

• Purity: 95%