2,6-dichlorobenzene-1-carboximidamide hydrochloride

• ChemBase ID: 812918
• Molecular Formular: C7H7Cl3N2
• Molecular Mass: 225.50288
• Monoisotopic Mass: 223.96748127
• SMILES: Cl.c1(c(cccc1Cl)Cl)C(=N)N
• Canonical SMILES: NC(=N)c1c(Cl)cccc1Cl.Cl
• InChI: InChI=1S/C7H6Cl2N2.ClH/c8-4-2-1-3-5(9)6(4)7(10)11;/h1-3H,(H3,10,11);1H
• InChIKey: XSQXZSIWHQCGMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichlorobenzene-1-carboximidamide hydrochloride
• IUPAC Traditional name: 2,6-dichlorobenzenecarboximidamide hydrochloride
• Synonyms: 2,6-DICHLORO-BENZAMIDINE HYDROCHLORIDE

Database IDs

• CAS Number: 3797-81-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.28407568
• LogD (pH = 7.4): 0.4980361
• Log P: 2.1018035
• Molar Refractivity: 57.3401 cm^3
• Polarizability: 17.82481 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%