[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]({[2-(propan-2-yloxy)phenyl]methylidene})rutheniumbis(ylium) dichloride

• ChemBase编号: 70979
• 分子式: C31H38Cl2N2ORu
• 平均质量: 626.62222
• 单一同位素质量: 626.14046821
• SMILES: [Ru+2](=Cc1c(cccc1)OC(C)C)=C1N(CCN1c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C.[Cl-].[Cl-]
• Canonical SMILES: CC(Oc1ccccc1C=[Ru+2]=C1N(CCN1c1c(C)cc(cc1C)C)c1c(C)cc(cc1C)C)C.[Cl-].[Cl-]
• InChI: InChI=1S/C21H26N2.C10H12O.2ClH.Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-8(2)11-10-7-5-4-6-9(10)3;;;/h9-12H,7-8H2,1-6H3;3-8H,1-2H3;2*1H;/q;;;;+2/p-2
• InChIKey: ZRPFJAPZDXQHSM-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]({[2-(propan-2-yloxy)phenyl]methylidene})rutheniumbis(ylium) dichloride
• IUPAC传统名: [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene][(2-isopropoxyphenyl)methylidene]rutheniumbis(ylium) dichloride
• 别名: (1,3-Dimesitylimidazolidin-2-ylidene)(2-isopropoxy-benzylidene)ruthenium(VI) chloride

登记号

• CAS号: 301224-40-8
• PubChem SID: 162036687
• PubChem CID: 0

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 10.922999
• LogD (pH = 7.4): 10.923
• Log P: 10.923
• 摩尔折射率: 148.2493 cm^3
• 极化性: 59.189434 Å^3
• 极化表面积: 15.71 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 95+%