2,2,3,3,4,4,5,5,5-nonafluoropentan-1-amine

• ChemBase编号: 15288
• 分子式: C5H4F9N
• 平均质量: 249.0775888
• 单一同位素质量: 249.02000311
• SMILES: C(C(C(C(CN)(F)F)(F)F)(F)F)(F)(F)F
• Canonical SMILES: NCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C5H4F9N/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14/h1,15H2
• InChIKey: SUNUNYBGDFIAME-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,3,3,4,4,5,5,5-nonafluoropentan-1-amine
• IUPAC传统名: 2,2,3,3,4,4,5,5,5-nonafluoropentan-1-amine
• 别名: 1H,1H-Perfluoropentylamine; 2,2,3,3,4,4,5,5,5-Nonafluoropentylamine; (Perfluorobut-1-yl)methylamine; 1H,1H-Nonafluoropentylamine

登记号

• CAS号: 355-27-1
• MDL号: MFCD06213670
• PubChem SID: 160978595
• PubChem CID: 2769669

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 0.572075
• LogD (pH = 7.4): 2.1390522
• Log P: 2.4315655
• 摩尔折射率: 29.3729 cm^3
• 极化性: 11.353133 Å^3
• 极化表面积: 26.02 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 87°C
• 密度: 1.55; 1.57

安全信息

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

产品相关信息

• 纯度: 97%