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Ethanamine, 2-(Methylsulfonyl)-, Hydrochloride (1:1)
CAS: 104458-24-4 | C3H10ClNO2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
104458-24-4
Molecular Formula:
C3H10ClNO2S
Molecular Mass:
159.64 g/mol
Names and Synonyms:
Ethanamine, 2-(Methylsulfonyl)-, Hydrochloride (1:1)
Ethanamine, 2-(methylsulfonyl)-, hydrochloride (1:1)
Ethanamine, 2-(methylsulfonyl)-, hydrochloride
2-(Methylsulfonyl)ethylamine hydrochloride
2-(Methylsulfonyl)ethanamine hydrochloride
2-Aminoethyl methyl sulfone hydrochloride
2-(Methylsulfonyl)ethanamine monohydrochloride
2-Mesylethylamine hydrochloride
2-(Methylsulfonyl)ethan-1-amine hydrochloride
2-Methanesulfonylethan-1-amine hydrochloride
Identifiers:
SMILES:
CS(=O)(=O)CCN.Cl
InChI:
InChI=1S/C3H9NO2S.ClH/c1-7(5,6)3-2-4;/h2-4H2,1H3;1H
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 | 159.64 g/mol | CAS Common Chemistry |
| 159.63800000000003 g/mol | RDKit | |
| 159.01207724 g/mol | RDKit | |
| Canonical SMILES | Cl.O=S(=O)(C)CCN | CAS Common Chemistry |
| InChI | InChI=1S/C3H9NO2S.ClH/c1-7(5,6)3-2-4;/h2-4H2,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=AMYYUKGKCJKCBI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethanamine, 2-(methylsulfonyl)-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 60.16 Ų | RDKit |
| LogP | -0.5884999999999997 | RDKit |
| Molar Refractivity | 36.0132 | RDKit |
