CAS No.: 1132-61-2 — 3[N-Morpholino]propane sulfonic acid (3-(N-吗啡啉)丙磺酸)

1. Primary Information

English name:	3[N-Morpholino]propane sulfonic acid
CAS No.:	1132-61-2
Molecular formula:	C₇H₁₅NO₄S
Molecular weight:	209.27 g/mol
SMILES:	C1COCCN1CCCS(=O)(=O)O
Structural class:
Other identifiers:	MOPS morpholine propanesulphonic acid morpholinopropane sulfonic acid

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	25g	超纯，99.5%	24	RT	in stock	-
Kehua Intelligence	100g	超纯，99.5%	68	RT	in stock	-
Kehua Intelligence	500g	超纯，99.5%	240	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 28 28 0 0 0 0 0 0 0999 V2000 -3.4885 -0.2452 0.0899 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2436 -0.6453 -0.1768 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6632 0.7681 -0.4145 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5382 -0.3331 1.5380 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5095 -1.4339 -0.7435 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6354 0.4313 0.1972 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3904 1.0132 -0.2996 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8393 -0.9149 -0.3557 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7812 1.2901 -0.1334 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8009 0.1574 0.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1497 -1.4963 0.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0697 0.6567 0.3835 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1091 0.7518 -0.3764 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4091 1.1174 -1.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2635 2.0189 0.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8635 -0.8814 -1.4526 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 -1.6175 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6620 2.2779 0.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8530 1.4268 -1.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8245 0.0596 1.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7462 -0.8542 -0.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1249 -1.6387 1.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3334 -2.4739 -0.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9297 1.2648 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0762 0.5881 1.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1151 0.8360 -1.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2617 1.7455 0.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7834 1.5823 0.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 13 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 28 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 11 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 12 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 13 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

3-morpholin-4-ylpropane-1-sulfonic acid

4.2 InChI

InChI=1S/C7H15NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2,(H,9,10,11)

4.3 InChIKey

DVLFYONBTKHTER-UHFFFAOYSA-N

4.4 Canonical SMILES

C1COCCN1CCCS(=O)(=O)O

4.5 Isomeric SMILES

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

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)