pentadecafluorooctanimidamide

• ChemBase编号: 12092
• 分子式: C8H3F15N2
• 平均质量: 412.098868
• 单一同位素质量: 412.00567141
• SMILES: C(=N)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N
• Canonical SMILES: NC(=N)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C8H3F15N2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H3,24,25)
• InChIKey: VHJKOLAKAFYZMC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: pentadecafluorooctanimidamide
• IUPAC传统名: pentadecafluorooctanimidamide
• 别名: Perfluorooctanamidine; Pentadecafluorooctanimidamide; Perfluorooctanamidine 97%

登记号

• CAS号: 307-31-3
• MDL号: MFCD00069165
• PubChem SID: 160975399
• PubChem CID: 2778827

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 4.375435
• LogD (pH = 7.4): 4.375721
• Log P: 4.375725
• 摩尔折射率: 56.0782 cm^3
• 极化性: 17.586815 Å^3
• 极化表面积: 49.87 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT; Irritant
• TSCA收录: false

产品相关信息

• 纯度: 97%