CAS No.: 34455-29-3 — 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 (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. Primary Information

English name:	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
CAS No.:	34455-29-3
Molecular formula:	C₁₅H₁₉F₁₃N₂O₄S
Molecular weight:	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-]
Structural class:
Other identifiers:	((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. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	10ml	10.0ug/ml	2240	2-8°C	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-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

4. International Nomenclature & Identifiers

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 InChI

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

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)