2,4-dichlorobenzene-1-carboximidamide hydrochloride

• ChemBase ID: 812914
• Molecular Formular: C7H7Cl3N2
• Molecular Mass: 225.50288
• Monoisotopic Mass: 223.96748127
• SMILES: Cl.c1(c(cc(cc1)Cl)Cl)C(=N)N
• Canonical SMILES: Clc1ccc(c(c1)Cl)C(=N)N.Cl
• InChI: InChI=1S/C7H6Cl2N2.ClH/c8-4-1-2-5(7(10)11)6(9)3-4;/h1-3H,(H3,10,11);1H
• InChIKey: CIPUZYQYFMMYAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichlorobenzene-1-carboximidamide hydrochloride
• IUPAC Traditional name: 2,4-dichlorobenzenecarboximidamide hydrochloride
• Synonyms: 2,4-DICHLORO-BENZAMIDINE HYDROCHLORIDE

Database IDs

• CAS Number: 154505-50-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.31106037
• LogD (pH = 7.4): -0.14481951
• Log P: 2.1018035
• Molar Refractivity: 57.3401 cm^3
• Polarizability: 17.81424 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%