N-[bis(acetyloxy)(dicyclohexylazaniumyl)palladio]-N-cyclohexylcyclohexanaminium

• ChemBase编号: 44036
• 分子式: C28H52N2O4Pd++
• 平均质量: 587.14348
• 单一同位素质量: 586.29619415
• SMILES: [Pd]([NH+](C1CCCCC1)C1CCCCC1)([NH+](C1CCCCC1)C1CCCCC1)(OC(=O)C)OC(=O)C
• Canonical SMILES: CC(=O)O[Pd]([NH+](C1CCCCC1)C1CCCCC1)([NH+](C1CCCCC1)C1CCCCC1)OC(=O)C
• InChI: InChI=1S/2C12H23N.2C2H4O2.Pd/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2(3)4;/h2*11-13H,1-10H2;2*1H3,(H,3,4);/q;;;;+4/p-2
• InChIKey: CWWOXURZETXBDF-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: N-[bis(acetyloxy)(dicyclohexylazaniumyl)palladio]-N-cyclohexylcyclohexanaminium
• IUPAC传统名: N-[bis(acetyloxy)(dicyclohexylaminio)palladio]-N-cyclohexylcyclohexanaminium; N-[bis(acetyloxy)(dicyclohexylammonio)palladio]-N-cyclohexylcyclohexanaminium
• 别名: Bis(dicyclohexylamino)palladium acetate

登记号

• CAS号: 628339-96-8
• MDL号: MFCD09996893
• PubChem SID: 162048799
• PubChem CID: 45588331

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 2.625531
• LogD (pH = 7.4): 3.9598072
• Log P: 5.8034
• 摩尔折射率: 158.1056 cm^3
• 极化性: 58.970013 Å^3
• 极化表面积: 61.48 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 140 (dec) °C; 140°C(dec)

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: >95%