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Molecule
Etamsylate
CAS: 2624-44-4 · C10H17NO5S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2624-44-4
- Molecular Formula
- C10H17NO5S
- Molecular Mass
- 263.31 g/mol
Identifiers
CAS Registry Number
2624-44-4
SMILES
CCNCC.O=S(=O)(O)c1cc(O)ccc1O
InChI Key
HBGOLJKPSFNJSD-UHFFFAOYSA-N
InChI
InChI=1S/C6H6O5S.C4H11N/c7-4-1-2-5(8)6(3-4)12(9,10)11;1-3-5-4-2/h1-3,7-8H,(H,9,10,11);5H,3-4H2,1-2H3
Names and Synonyms
- Etamsylate Synonym
- Benzenesulfonic acid, 2,5-dihydroxy-, compd. with N-ethylethanamine (1:1) Synonym
- Benzenesulfonic acid, 2,5-dihydroxy-, compd. with diethylamine (1:1) Synonym
- Benzenesulfonic acid, 2,5-dihydroxy-, compd. with Et2NH Synonym
- Diethylamine, 2,5-dihydroxybenzenesulfonate Synonym
- Ethanamine, N-ethyl-, 2,5-dihydroxybenzenesulfonate Synonym
- 141 MD Synonym
- Dicynene Synonym
- Dicynone Synonym
- Diethylammonium 2,5-dihydroxybenzenesulfonate Synonym
- Ethamsylate Synonym
- Cyclonamine Synonym
- Eselin Synonym
- Aglumin Synonym
- Altodor Synonym
- Etamsylate Synonym
- 2,5-Dihydroxybenzenesulfonic acid diethylamine salt Synonym
- Dicinone Synonym
- Biosinon Synonym
- MD 141 Synonym
- E 141 Synonym
- K-Stat Synonym
- Hemsyl Synonym
- Sylate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 263.31 g/mol | CAS Common Chemistry |
| 263.315 g/mol | RDKit | |
| 263.308 g/mol | chempirical lib | |
| Canonical SMILES | O=S(=O)(O)C1=CC(O)=CC=C1O.N(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C6H6O5S.C4H11N/c7-4-1-2-5(8)6(3-4)12(9,10)11;1-3-5-4-2/h1-3,7-8H,(H,9,10,11);5H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HBGOLJKPSFNJSD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 125 °C | CAS Common Chemistry |
| Name | Etamsylate | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 106.86000000000001 Ų | RDKit |
| 106.86 Ų | RDKit | |
| LogP | 0.9602999999999997 | RDKit |
| 0.9603 | RDKit | |
| Molar Refractivity | 63.803900000000034 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 263.082743644 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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.
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MW = 263.31 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H17NO5S.
