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Molecule
Mops
CAS: 1132-61-2 · C7H15NO4S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1132-61-2
- Molecular Formula
- C7H15NO4S
- Molecular Mass
- 209.27 g/mol
Identifiers
CAS Registry Number
1132-61-2
SMILES
O=S(=O)(O)CCCN1CCOCC1
InChI Key
DVLFYONBTKHTER-UHFFFAOYSA-N
InChI
InChI=1S/C7H15NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2,(H,9,10,11)
Names and Synonyms
- Mops Common Name
- 4-Morpholinepropanesulfonic acid Synonym
- MOPS Synonym
- Morpholinopropanesulfonic acid Synonym
- 3-Morpholinopropanesulfonic acid Synonym
- 3-(N-Morpholino)propanesulfonic acid Synonym
- WAS 15 Synonym
- 3-(4-Morpholino)propanesulfonic acid Synonym
- 3-Morpholin-4-ium-4-ylpropane-1-sulfonate Synonym
- 3-Morpholin-4-yl-propane-1-sulfonic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 209.27 g/mol | CAS Common Chemistry |
| 209.26699999999994 g/mol | RDKit | |
| 209.267 g/mol | RDKit | |
| 209.26 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/MOPS | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(O)CCCN1CCOCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H15NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2,(H,9,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=DVLFYONBTKHTER-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 284 °C | CAS Common Chemistry |
| Name | MOPS | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 66.84 Ų | RDKit |
| LogP | -0.4034999999999995 | RDKit |
| -0.4035 | RDKit | |
| Molar Refractivity | 48.29160000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 209.07217896 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
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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 = 209.27 g/mol. Edit any field — others recompute live.
