CAS号:34455-29-3-N-[羧甲基-N,N-二甲基-3-[(3,3,4,4,5,5,6,6,7,7,8,8,8-十三氟代辛基)磺酰胺基]丙基]铵内盐 - 1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-(((3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfonyl)amino)-, inner salt-科华智慧

1. 主信息

英文名:	1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-(((3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfonyl)amino)-, inner salt
中文名:	N-[羧甲基-N,N-二甲基-3-[(3,3,4,4,5,5,6,6,7,7,8,8,8-十三氟代辛基)磺酰胺基]丙基]铵内盐
CAS编号:	34455-29-3
化学分子式：	C₁₅H₁₉F₁₃N₂O₄S
化学分子量：	570.4 g/mol
SMILES：	C[N+](C)(CCCNS(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=O)[O-]
来源：	合成化合物
结构类型：	-
其它名称或标识：	((3-((3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-sulfonyl)amino)propyl)(dimethyl)azaniumyl)acetate ((3-((3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecane-1-sulfonyl)amino)propyl)(dimethyl)azaniumyl)acetate (Dimethyl(3-((3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonyl)amino)propyl)azaniumyl)acetate 10-2 fluorotelomer sulfonamide betaine 10:2 fluorotelomer sulfonamide betaine

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	10ml	10.0ug/ml	2240	2-8°C	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 54 53 0 0 0 0 0 0 0999 V2000 1.8748 0.0334 -0.9359 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7354 0.8462 1.6075 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9648 2.8198 1.1286 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.5994 2.7244 1.0041 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6607 3.1101 -0.9197 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.1266 0.5964 -1.7506 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.8820 1.7047 -1.1046 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.0907 -0.6940 0.7544 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.8841 0.4160 1.2984 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.4373 -1.6428 -1.5084 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.1931 -0.5301 -0.8652 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.2428 -3.1887 -0.2270 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.4127 -2.9582 0.9367 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.2108 -1.8897 1.5281 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3206 -1.2135 -1.4374 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2490 1.0921 -1.8600 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0414 -2.3937 -1.1250 O 0 5 0 0 0 0 0 0 0 0 0 0 6.0823 -2.7178 0.9233 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4738 0.3627 0.0612 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2205 -0.3021 0.0640 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0358 0.6063 -0.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2699 0.5786 1.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6832 -1.0198 0.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5416 1.7126 0.5813 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 1.1043 -0.4231 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7711 0.7741 0.9071 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2917 0.4210 -1.2366 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0335 1.4183 1.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8851 2.1327 0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7449 0.7135 0.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7619 1.0730 -0.6503 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1903 -0.0865 0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0660 -1.1484 -0.4104 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8588 -2.1534 0.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4955 -2.3013 0.4621 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6717 -0.1324 -0.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9458 1.5933 -0.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5888 1.3922 1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4041 -0.3522 1.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7491 -1.2651 0.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4802 -0.9334 1.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0087 0.2066 -0.8715 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3804 1.8197 -1.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5989 1.7512 0.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2650 0.7586 1.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8535 -0.2551 -1.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2450 1.4478 -1.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3284 0.1488 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6458 1.2567 2.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1228 1.3096 1.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7638 2.4092 0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 -0.0419 1.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2061 1.5972 0.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2339 -1.2255 0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 1 16 2 0 0 0 0 1 20 1 0 0 0 0 1 30 1 0 0 0 0 2 24 1 0 0 0 0 3 24 1 0 0 0 0 4 29 1 0 0 0 0 5 29 1 0 0 0 0 6 31 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 11 33 1 0 0 0 0 12 35 1 0 0 0 0 13 35 1 0 0 0 0 14 35 1 0 0 0 0 17 34 1 0 0 0 0 18 34 2 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 19 27 1 0 0 0 0 19 28 1 0 0 0 0 20 26 1 0 0 0 0 20 54 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 26 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 34 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 31 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 35 1 0 0 0 0 M CHG 2 17 -1 19 1

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4. 国际命名与标识

4.1 IUPAC Name

2-[dimethyl-[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonylamino)propyl]azaniumyl]acetate

4.2 InChl

InChI=1S/C15H19F13N2O4S/c1-30(2,8-9(31)32)6-3-5-29-35(33,34)7-4-10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h29H,3-8H2,1-2H3

4.3 InChlKey

OKOCIUJVPQKDLL-UHFFFAOYSA-N

4.4 Canonical SMILES

C[N+](C)(CCCNS(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=O)[O-]

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