bis(nonafluorobutyl)(trifluoromethyl)amine; tris(nonafluorobutyl)amine

• ChemBase编号: 96795
• 分子式: C21F48N2
• 平均质量: 1192.1614536
• 单一同位素质量: 1191.92950257
• SMILES: FC(F)(F)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• Canonical SMILES: FC(C(C(C(N(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.FC(N(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C12F27N.C9F21N/c13-1(14,7(25,26)27)4(19,20)10(34,35)40(11(36,37)5(21,22)2(15,16)8(28,29)30)12(38,39)6(23,24)3(17,18)9(31,32)33;10-1(11,5(18,19)20)3(14,15)7(24,25)31(9(28,29)30)8(26,27)4(16,17)2(12,13)6(21,22)23
• InChIKey: QDOIZVITZUBGOQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: bis(nonafluorobutyl)(trifluoromethyl)amine; tris(nonafluorobutyl)amine
• IUPAC传统名: bis(nonafluorobutyl)(trifluoromethyl)amine; perfluorotributylamine
• 别名: FluorinertR(FC-40)

登记号

• CAS号: 51142-49-5
• MDL号: MFCD00131095
• PubChem SID: 162083442
• PubChem CID: 2723673

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 9.803731
• LogD (pH = 7.4): 9.803731
• Log P: 9.803731
• 摩尔折射率: 66.0417 cm^3
• 极化性: 25.50428 Å^3
• 极化表面积: 3.24 Å^2
• 可自由旋转的化学键: 21
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: -57°C
• 沸点: 155°C
• 闪点: none°C
• 密度: 1.870
• 折射率: 1.2900

安全信息

• 保存注意事项: Irritant

详细说明

Apollo Scientific Ltd - PC3312

(Fluorinert is a registered trademark of 3M)