CAS No.: 1135-40-6 — 3-Cyclohexyl-1-propylsulfonic acid (3-(环己氨基)-1-丙磺酸)

1. Primary Information

English name:	3-Cyclohexyl-1-propylsulfonic acid
CAS No.:	1135-40-6
Molecular formula:	C₉H₁₉NO₃S
Molecular weight:	221.32 g/mol
SMILES:	C1CCC(CC1)NCCCS(=O)(=O)O
Structural class:
Other identifiers:	3-(cyclohexylamino)-1-propanesulfonic acid CAPS acid

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	25g	BR，99%	28	RT	in stock	-
Kehua Intelligence	100g	BR，99%	84	RT	in stock	-
Kehua Intelligence	500g	BR，99%	256	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 33 33 0 0 0 0 0 0 0999 V2000 -4.2102 -0.0241 0.1019 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.0639 1.2584 -0.4338 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2478 -0.0363 1.5531 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5847 -1.1910 -0.6765 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8935 -0.8135 0.1162 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2151 -0.3606 -0.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4738 1.0579 0.2065 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2873 -1.3358 0.1854 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8781 1.5368 -0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6904 -0.8541 -0.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9482 0.5624 0.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1445 0.0717 -0.3895 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5178 -0.3954 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6175 0.5236 -0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2541 -0.3510 -1.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3491 1.0971 1.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7911 1.7933 -0.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1248 -2.3313 -0.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2195 -1.4468 1.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0563 2.5256 0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9548 1.6508 -1.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8134 -0.8809 -1.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4358 -1.5375 0.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9346 0.9005 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 0.5595 1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7297 -1.7634 -0.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1253 0.1031 -1.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0378 1.0924 -0.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5403 -0.4280 1.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7044 -1.4196 -0.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6255 0.5613 -1.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4748 1.5370 -0.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9373 2.0944 0.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 14 1 0 0 0 0 2 33 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 10 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

3-(cyclohexylamino)propane-1-sulfonic acid

4.2 InChI

InChI=1S/C9H19NO3S/c11-14(12,13)8-4-7-10-9-5-2-1-3-6-9/h9-10H,1-8H2,(H,11,12,13)

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)