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Molecule
Mes (Buffer)
CAS: 4432-31-9 · C6H13NO4S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4432-31-9
- Molecular Formula
- C6H13NO4S
- Molecular Mass
- 195.24 g/mol
Identifiers
CAS Registry Number
4432-31-9
SMILES
O=S(=O)(O)CCN1CCOCC1
InChI Key
SXGZJKUKBWWHRA-UHFFFAOYSA-N
InChI
InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)
Names and Synonyms
- Mes (Buffer) Common Name
- 4-Morpholineethanesulfonic acid Synonym
- MES Synonym
- 2-Morpholinoethanesulfonic acid Synonym
- 2-(N-Morpholino)ethanesulfonic acid Synonym
- MES (buffering agent) Synonym
- 2-(4-Morpholinyl)ethanesulfonic acid Synonym
- Morpholinoethanesulfonic acid Synonym
- 2-(4-Morpholino)ethanesulfonic acid Synonym
- NSC 157116 Synonym
- MES buffer Synonym
- 2-(Morpholin-4-yl)ethane-1-sulfonic acid Synonym
- 2-Morpholin-4-ium-4-ylethanesulfonate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 195.24 g/mol | CAS Common Chemistry |
| 195.23999999999995 g/mol | RDKit | |
| 195.233 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/MES_(buffer) | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(O)CCN1CCOCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=SXGZJKUKBWWHRA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 277-280 °C (decomp) | CAS Common Chemistry |
| Name | 4-Morpholineethanesulfonic acid | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 66.84 Ų | RDKit |
| LogP | -0.7935999999999992 | RDKit |
| -0.7936 | RDKit | |
| Molar Refractivity | 43.67460000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 195.056528896 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 195.24 g/mol. Edit any field — others recompute live.
