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Ethanamine, Hydrobromide (1:1)
CAS: 593-55-5 | C2H8BrN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
593-55-5
Molecular Formula:
C2H8BrN
Molecular Mass:
126.00 g/mol
Names and Synonyms:
Ethanamine, Hydrobromide (1:1)
Ethanamine, hydrobromide (1:1)
Ethylamine, hydrobromide
Ethanamine, hydrobromide
Ethylamine monohydrobromide
Ethylammonium bromide
Identifiers:
SMILES:
Br.CCN
InChI:
InChI=1S/C2H7N.BrH/c1-2-3;/h2-3H2,1H3;1H
Key Properties
Melting Point
146 °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 | 126.00 g/mol | CAS Common Chemistry |
| 125.997 g/mol | RDKit | |
| 124.984011356 g/mol | RDKit | |
| Canonical SMILES | Br.NCC | CAS Common Chemistry |
| InChI | InChI=1S/C2H7N.BrH/c1-2-3;/h2-3H2,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=PNZDZRMOBIIQTC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 146 °C | CAS Common Chemistry |
| Name | Ethanamine, hydrobromide (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 0.5429 | RDKit |
| Molar Refractivity | 25.050399999999996 | RDKit |
