3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-1-amine

• ChemBase编号: 15282
• 分子式: C10H6F17N
• 平均质量: 463.1341944
• 单一同位素质量: 463.02287894
• SMILES: NCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: NCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10H6F17N/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2,28H2
• InChIKey: PFINVJYJNJHTFY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-1-amine
• IUPAC传统名: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-1-amine
• 别名: 1H,1H,2H,2H-Perfluorodecylamine; 2-(Perfluorooctyl)ethylamine; 1H,1H,2H,2H-Perfluorodecylamine 97%

登记号

• CAS号: 30670-30-5
• MDL号: MFCD06248653
• PubChem SID: 160978589
• PubChem CID: 2783341

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 2.4852211
• LogD (pH = 7.4): 3.0248544
• Log P: 5.5044394
• 摩尔折射率: 52.4967 cm^3
• 极化性: 20.581005 Å^3
• 极化表面积: 26.02 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 73°C/7mm

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%