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2-Aminoethanesulfonamide Hydrochloride
CAS: 89756-60-5 | C2H9ClN2O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
89756-60-5
Molecular Formula:
C2H9ClN2O2S
Molecular Mass:
160.63 g/mol
Names and Synonyms:
2-Aminoethanesulfonamide Hydrochloride
Ethanesulfonamide, 2-amino-, hydrochloride (1:1)
Ethanesulfonamide, 2-amino-, monohydrochloride
Ethanesulfonamide, 2-amino-, hydrochloride
ST 31-84
2-Aminoethanesulfonamide hydrochloride
2-Aminoethane-1-sulfonamide hydrochloride
2-Amino-ethanesulfonic acid amide; hydrochloride
2-Aminoethanesulphonamide hydrochloride
Identifiers:
SMILES:
Cl.NCCS(N)(=O)=O
InChI:
InChI=1S/C2H8N2O2S.ClH/c3-1-2-7(4,5)6;/h1-3H2,(H2,4,5,6);1H
Key Properties
Melting Point
133 °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 | 160.63 g/mol | CAS Common Chemistry |
| 160.626 g/mol | RDKit | |
| 160.007326208 g/mol | RDKit | |
| Canonical SMILES | Cl.O=S(=O)(N)CCN | CAS Common Chemistry |
| InChI | InChI=1S/C2H8N2O2S.ClH/c3-1-2-7(4,5)6;/h1-3H2,(H2,4,5,6);1H | CAS Common Chemistry |
| InChI Key | InChIKey=DGUVEYAZTOUCEJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 133 °C | CAS Common Chemistry |
| Name | 2-Aminoethanesulfonamide hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 86.18 Ų | RDKit |
| LogP | -1.3445999999999994 | RDKit |
| Molar Refractivity | 34.276599999999995 | RDKit |
