2-(3,4-dichlorophenyl)ethanimidamide hydrochloride

• ChemBase ID: 269637
• Molecular Formular: C8H9Cl3N2
• Molecular Mass: 239.52946
• Monoisotopic Mass: 237.98313134
• SMILES: c1(c(ccc(c1)CC(=N)N)Cl)Cl.Cl
• Canonical SMILES: NC(=N)Cc1ccc(c(c1)Cl)Cl.Cl
• InChI: InChI=1S/C8H8Cl2N2.ClH/c9-6-2-1-5(3-7(6)10)4-8(11)12;/h1-3H,4H2,(H3,11,12);1H
• InChIKey: XHNMUESLGUOKPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dichlorophenyl)ethanimidamide hydrochloride
• IUPAC Traditional name: 2-(3,4-dichlorophenyl)ethanimidamide hydrochloride
• Synonyms: 2-(3,4-dichlorophenyl)ethanimidamide hydrochloride

Database IDs

• MDL Number: MFCD08752291
• PubChem SID: 164325547
• PubChem CID: 12690065

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.3334693
• LogD (pH = 7.4): -0.33186677
• Log P: 2.081969
• Molar Refractivity: 61.3915 cm^3
• Polarizability: 19.66624 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 129 - 131°C
• Hydrophobicity(logP): 1.81

Product Information

• Purity: 95%