2,4-dimethylbenzene-1-carboximidamide hydrochloride

• ChemBase ID: 812915
• Molecular Formular: C9H13ClN2
• Molecular Mass: 184.66592
• Monoisotopic Mass: 184.07672611
• SMILES: Cl.c1(c(cc(cc1)C)C)C(=N)N
• Canonical SMILES: Cc1ccc(c(c1)C)C(=N)N.Cl
• InChI: InChI=1S/C9H12N2.ClH/c1-6-3-4-8(9(10)11)7(2)5-6;/h3-5H,1-2H3,(H3,10,11);1H
• InChIKey: HPJGQUCLSMWYHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethylbenzene-1-carboximidamide hydrochloride
• IUPAC Traditional name: 2,4-dimethylbenzenecarboximidamide hydrochloride
• Synonyms: 2,4-DIMETHYL-BENZAMIDINE HYDROCHLORIDE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.49486756
• LogD (pH = 7.4): -0.49219596
• Log P: 1.920557
• Molar Refractivity: 57.8129 cm^3
• Polarizability: 17.561914 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%