2-chloro-4-methylbenzene-1-carboximidamide hydrochloride

• ChemBase ID: 797886
• Molecular Formular: C8H10Cl2N2
• Molecular Mass: 205.0844
• Monoisotopic Mass: 204.02210369
• SMILES: Cl.c1(c(cc(cc1)C)Cl)C(=N)N
• Canonical SMILES: Cc1ccc(c(c1)Cl)C(=N)N.Cl
• InChI: InChI=1S/C8H9ClN2.ClH/c1-5-2-3-6(8(10)11)7(9)4-5;/h2-4H,1H3,(H3,10,11);1H
• InChIKey: VGVALSFJBNAGJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-methylbenzene-1-carboximidamide hydrochloride
• IUPAC Traditional name: 2-chloro-4-methylbenzenecarboximidamide hydrochloride
• Synonyms: 2-Chloro-4-methyl-benzamidine hydrochloride

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.40334052
• LogD (pH = 7.4): -0.33549148
• Log P: 2.0111804
• Molar Refractivity: 57.5765 cm^3
• Polarizability: 17.659922 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%; 98%