4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-1-amine

• ChemBase编号: 142319
• 分子式: C11H8F17N
• 平均质量: 477.1607744
• 单一同位素质量: 477.038529
• SMILES: C(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CN
• Canonical SMILES: NCCCC(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/C11H8F17N/c12-4(13,2-1-3-29)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-3,29H2
• InChIKey: CVTWASMMVSOPEW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-1-amine
• IUPAC传统名: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-1-amine
• 别名: 1H,1H,2H,2H,3H,3H-全氟十一胺; 3-(全氟辛基)丙胺; 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-十七氟十一胺; 1H,1H,2H,2H,3H,3H-Perfluoroundecylamine; 3-(Perfluorooctyl)propylamine; 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecylamine

登记号

• CAS号: 139175-50-1
• MDL号: MFCD03788349
• PubChem SID: 162236549; 24845759
• PubChem CID: 10743224

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 2.5589077
• LogD (pH = 7.4): 2.9827042
• Log P: 5.5827575
• 摩尔折射率: 57.6653 cm^3
• 极化性: 22.181229 Å^3
• 极化表面积: 26.02 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

分子性质

理化性质

• 闪点: 210 °C; 410 °F
• 密度: 1.602 g/mL at 25 °C
• 折射率: n20/D 1.326

安全信息

• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 2735
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 34
• 安全公开号: 26-36/37/39-45
• GHS危险品标识: GHS05
• GHS警示词: Danger
• GHS危险声明: H314
• GHS警示性声明: P280-P305 + P351 + P338-P310
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2735 8/PG 3

产品相关信息

• 纯度: ≥97%
• Empirical Formula (Hill Notation): C11H8F17N

详细说明

Sigma Aldrich - 04636

Legal Information
Fluorous Technologies, Inc. 的产品。该化合物的使用受美国专利 6,156,896、5,859,247、5,777,121 和 6,673,539 的保护。