4-(1H-benzo[d]imidazol-2-yl)-N,N-dimethylaniline

CAS: 2562-71-2

Ref. 3D-CAA56271

Información del producto

• Nombre: 4-(1H-benzo[d]imidazol-2-yl)-N,N-dimethylaniline
• Sinónimos: Benzenamine, 4-(1H-benzimidazol-2-yl)-N,N-dimethyl-

Descripción

4-(1H-benzo[d]imidazol-2-yl)-N,N-dimethylaniline is a molecule with the chemical formula C8H6N2. It has an optimised vibrational profile that can be used to identify it. The functional theory of molecular orbitals predicts that 4-(1H-benzo[d]imidazol-2-yl)-N,N-dimethylaniline will have a molecular electrostatic potential (MEP) of -0.13 kcal/mol and a shift of 0.04 cm(-1). The MEP and shift are calculated by using a single crystal x-ray diffraction experiment. This molecule has conformational parameters that can be calculated by using optimised atomic orbital parameters, which will give the conformational probability for each conformation as well as the total energy for each conformation. The conformations are then plotted on a graph in order to find the most probable con

• Marca: Biosynth

Propiedades químicas

• Peso molecular: 237.31 g/mol
• Fórmula: C₁₅H₁₅N₃
• Pureza: Min. 95%