CAS No.: 4432-31-9 — 2-(N-Morpholino)ethanesulfonic acid (吗啉乙磺酸(无水))

1. Primary Information

English name:	2-(N-Morpholino)ethanesulfonic acid
CAS No.:	4432-31-9
Molecular formula:	C₆H₁₃NO₄S
Molecular weight:	195.24 g/mol
SMILES:	C1COCCN1CCS(=O)(=O)O
Structural class:
Other identifiers:	2-(N-morpholino)ethanesulfonic acid 2-(N-morpholino)ethanesulfonic acid, sodium salt 2-morpholinoethanesulfonate 4-morpholineethanesulfonate MES compound

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	25g	99%	52	RT	in stock	-
Kehua Intelligence	100g	99%	120	RT	in stock	-
Kehua Intelligence	500g	99%	388	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 25 25 0 0 0 0 0 0 0999 V2000 -2.9458 0.0503 -0.0616 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7833 -0.3649 -0.2604 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6812 -1.2835 0.5222 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0312 0.0339 -1.5106 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3816 1.1989 0.7115 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0648 0.2862 0.2759 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4528 -1.0380 -0.2296 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0215 1.3015 -0.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2936 0.6241 -0.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8773 -1.3632 0.2108 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4329 0.9212 0.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2992 -0.3666 0.4193 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3692 0.6636 -1.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5497 1.6261 0.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3919 -1.0643 -1.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8217 -1.8353 0.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7709 2.2814 0.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9898 1.3841 -1.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9561 -1.4433 1.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1898 -2.3222 -0.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1535 1.6443 -0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5305 0.9189 1.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2687 -0.3951 1.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1469 -1.3761 0.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5164 -2.1145 0.0177 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 12 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 25 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 15 1 0 0 0 0 7 16 1 0 0 0 0 8 11 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-morpholin-4-ylethanesulfonic acid

4.2 InChI

InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)

4.3 InChIKey

SXGZJKUKBWWHRA-UHFFFAOYSA-N

4.4 Canonical SMILES

C1COCCN1CCS(=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)