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Etamsylate
CAS: 2624-44-4 | C10H17NO5S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2624-44-4
Molecular Formula:
C10H17NO5S
Molecular Mass:
263.31 g/mol
Names and Synonyms:
Etamsylate
Benzenesulfonic acid, 2,5-dihydroxy-, compd. with N-ethylethanamine (1:1)
Benzenesulfonic acid, 2,5-dihydroxy-, compd. with diethylamine (1:1)
Benzenesulfonic acid, 2,5-dihydroxy-, compd. with Et2NH
Diethylamine, 2,5-dihydroxybenzenesulfonate
Ethanamine, N-ethyl-, 2,5-dihydroxybenzenesulfonate
141 MD
Dicynene
Dicynone
Diethylammonium 2,5-dihydroxybenzenesulfonate
Ethamsylate
Cyclonamine
Eselin
Aglumin
Altodor
Etamsylate
2,5-Dihydroxybenzenesulfonic acid diethylamine salt
Dicinone
Biosinon
MD 141
E 141
K-Stat
Hemsyl
Sylate
Identifiers:
SMILES:
CCNCC.O=S(=O)(O)c1cc(O)ccc1O
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
Key Properties
Melting Point
125 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 263.31 g/mol | CAS Common Chemistry |
| 263.315 g/mol | RDKit | |
| 263.082743644 g/mol | RDKit | |
| 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 |
| LogP | 0.9602999999999997 | RDKit |
| Molar Refractivity | 63.803900000000034 | RDKit |
