CAS号:754-91-6-全氟辛基磺酰胺 - Perfluorooctanesulfonamide-科华智慧

1. 主信息

英文名:	Perfluorooctanesulfonamide
中文名:	全氟辛基磺酰胺
CAS编号:	754-91-6
化学分子式：	C₈F₁₇SO₂NH₂
化学分子量：	499.15 g/mol
SMILES：	C(C(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
来源：	合成化合物
结构类型：	-
其它名称或标识：	1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-methyloctane-1-sulfonamide 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide DESFA FOSA perfluorooctane sulfonamide heptadecafluoro-N-methyloctanesulphonamide

2. 供应商与价格

供应商	包装规格	含量	价格(元)	环境要求	货期	说明
科华智慧	100mg	≥90%	1840	2-8℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 31 30 0 0 0 0 0 0 0999 V2000 4.1772 0.7215 0.1770 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7277 1.6293 -0.7584 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8154 1.6282 0.7581 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4956 0.9248 1.7483 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0728 -0.7049 1.7911 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1724 -0.6868 -1.8103 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5908 0.9451 -1.7374 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5141 -1.5581 1.4159 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 -1.9218 -0.3003 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3562 -1.9223 0.2849 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6274 -1.5122 -1.4251 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4199 0.1725 -1.6562 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6703 -1.4805 -1.0251 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.8523 -1.4029 0.9401 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4922 0.1127 1.6931 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.6364 0.2277 -1.0865 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.2580 1.7822 -0.4243 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.8834 1.1281 0.8771 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9563 -0.0509 1.1264 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5028 1.9349 0.5929 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1688 1.0693 -1.1569 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0426 0.7996 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8622 0.0218 0.9484 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9509 0.0315 -0.9521 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9015 -0.9298 0.3695 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9939 -0.9147 -0.3726 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9829 -0.3939 -0.5579 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0624 -0.3582 0.5563 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9647 0.7076 -0.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7856 1.6685 -1.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7855 0.3251 -1.5054 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 1 20 2 0 0 0 0 1 21 1 0 0 0 0 1 27 1 0 0 0 0 2 22 1 0 0 0 0 3 22 1 0 0 0 0 4 23 1 0 0 0 0 5 23 1 0 0 0 0 6 24 1 0 0 0 0 7 24 1 0 0 0 0 8 25 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 17 29 1 0 0 0 0 18 29 1 0 0 0 0 21 30 1 0 0 0 0 21 31 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide

4.2 InChl

InChI=1S/C8H2F17NO2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H2,26,27,28)

4.3 InChlKey

RRRXPPIDPYTNJG-UHFFFAOYSA-N

4.4 Canonical SMILES

C(C(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F

4.5 lsomeric SMILES

4.6 SDF文件

补充中

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称

英文名称

拉丁文名称

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型