(Z)-N'-(oxolan-2-ylmethyl)(dodecylsulfanyl)methanimidamide hydrobromide

• ChemBase编号: 265534
• 分子式: C18H37BrN2OS
• 平均质量: 409.46818
• 单一同位素质量: 408.18099681
• SMILES: C(=N\CC1OCCC1)(\SCCCCCCCCCCCC)/N.Br
• Canonical SMILES: CCCCCCCCCCCCS/C(=N\CC1CCCO1)/N.Br
• InChI: InChI=1S/C18H36N2OS.BrH/c1-2-3-4-5-6-7-8-9-10-11-15-22-18(19)20-16-17-13-12-14-21-17;/h17H,2-16H2,1H3,(H2,19,20);1H
• InChIKey: ZIBDBACEKPQJJE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (Z)-N'-(oxolan-2-ylmethyl)(dodecylsulfanyl)methanimidamide hydrobromide
• IUPAC传统名: (Z)-N'-(oxolan-2-ylmethyl)dodecylsulfanylmethanimidamide hydrobromide
• 别名: (dodecylsulfanyl)-N'-(oxolan-2-ylmethyl)methanimidamide hydrobromide

登记号

• MDL号: MFCD14705780
• PubChem SID: 164321444
• PubChem CID: 47002430

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 3.4591663
• LogD (pH = 7.4): 4.364795
• Log P: 5.832396
• 摩尔折射率: 98.4466 cm^3
• 极化性: 38.801834 Å^3
• 极化表面积: 47.61 Å^2
• 可自由旋转的化学键: 14
• 里宾斯基五规则: false

分子性质

理化性质

• 疏水性(logP): 7.29

产品相关信息

• 纯度: 95%