3,4-dimethylbenzene-1-carboximidamide

• ChemBase ID: 812388
• Molecular Formular: C9H12N2
• Molecular Mass: 148.20498
• Monoisotopic Mass: 148.10004839
• SMILES: c1(cc(c(cc1)C)C)C(=N)N
• Canonical SMILES: NC(=N)c1ccc(c(c1)C)C
• InChI: InChI=1S/C9H12N2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H3,10,11)
• InChIKey: QQSRGYGYLVLMFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dimethylbenzene-1-carboximidamide
• IUPAC Traditional name: 3,4-dimethylbenzenecarboximidamide
• Synonyms: 3,4-DIMETHYL-BENZAMIDINE

Database IDs

• CAS Number: 26130-47-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.49485812
• LogD (pH = 7.4): -0.49145022
• Log P: 1.920557
• Molar Refractivity: 57.8129 cm^3
• Polarizability: 17.561243 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%