nickel(2+) ion 2-(dimethylamino)-N-[2-(dimethylamino)phenyl]anilinide chloride

• ChemBase编号: 161990
• 分子式: C16H20ClN3Ni
• 平均质量: 348.4965
• 单一同位素质量: 347.06991824
• SMILES: c1c(c(ccc1)N(C)C)[N-]c1ccccc1N(C)C.[Ni+2].[Cl-]
• Canonical SMILES: CN(c1ccccc1[N-]c1ccccc1N(C)C)C.[Cl-].[Ni+2]
• InChI: InChI=1S/C16H20N3.ClH.Ni/c1-18(2)15-11-7-5-9-13(15)17-14-10-6-8-12-16(14)19(3)4;;/h5-12H,1-4H3;1H;/q-1;;+2/p-1
• InChIKey: IRLHVNUEEKJBEL-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: nickel(2+) ion 2-(dimethylamino)-N-[2-(dimethylamino)phenyl]anilinide chloride
• IUPAC传统名: nickel(2+) ion 2-(dimethylamino)-N-[2-(dimethylamino)phenyl]anilinide chloride
• 别名: (SP-4-3)-Chloro[N2-[2-(dimethylamino-κN)phenyl]-N1,N1-dimethyl-1,2-benzenediaminato-κN1,κN2]nickel; Bis[(2-dimethylamino)phenyl]amine Nickel(II) Chloride

登记号

• CAS号: 1033772-47-2
• PubChem SID: 162256125
• PubChem CID: 71313946

理论计算性质

• Acid pKa: 18.605888
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.6041076
• LogD (pH = 7.4): 3.6289363
• Log P: 3.6292593
• 摩尔折射率: 81.156 cm^3
• 极化性: 30.48566 Å^3
• 极化表面积: 15.71 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - B429765

Bis[(2-dimethylamino)phenyl]amine Nickel(II) Chloride is a new pincer-type bis(amido)amine (NN2) ligand. The Ni(II) alkyl complexes react cleanly with alkyl halides including chlorides to form C-C coupled products and Ni(II) halides.