2-(3-chlorophenyl)ethanimidamide hydrochloride

• ChemBase ID: 34008
• Molecular Formular: C8H10Cl2N2
• Molecular Mass: 205.0844
• Monoisotopic Mass: 204.02210369
• SMILES: C(=N)(Cc1cc(Cl)ccc1)N.Cl
• Canonical SMILES: NC(=N)Cc1cccc(c1)Cl.Cl
• InChI: InChI=1S/C8H9ClN2.ClH/c9-7-3-1-2-6(4-7)5-8(10)11;/h1-4H,5H2,(H3,10,11);1H
• InChIKey: SSKYLHULHCUDLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-chlorophenyl)ethanimidamide hydrochloride
• IUPAC Traditional name: 2-(3-chlorophenyl)ethanimidamide hydrochloride
• Synonyms: 2-(3-Chlorophenyl)ethanimidamide hydrochloride

Database IDs

• MDL Number: MFCD08752483
• PubChem SID: 160997315
• PubChem CID: 17221603

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.9375141
• LogD (pH = 7.4): -0.93592525
• Log P: 1.4779243
• Molar Refractivity: 56.5867 cm^3
• Polarizability: 17.733217 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false