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2-Bromoethylamine Hydrobromide
CAS: 2576-47-8 | C2H7Br2N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2576-47-8
Molecular Formula:
C2H7Br2N
Molecular Mass:
204.89 g/mol
Names and Synonyms:
2-Bromoethylamine Hydrobromide
Ethanamine, 2-bromo-, hydrobromide (1:1)
Ethylamine, 2-bromo-, hydrobromide
Ethanamine, 2-bromo-, hydrobromide
2-Bromoethylamine hydrobromide
β-Bromoethylamine hydrobromide
2-Aminoethyl bromide hydrobromide
2-Bromoethylammonium bromide
1-Amino-2-bromoethane hydrobromide
2-Bromoethanamine hydrobromide
2-Bromoethan-1-amine hydrobromide
2-Bromoethan-1-aminium bromide
Identifiers:
SMILES:
Br.NCCBr
InChI:
InChI=1S/C2H6BrN.BrH/c3-1-2-4;/h1-2,4H2;1H
Key Properties
Melting Point
168 °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 | 204.89 g/mol | CAS Common Chemistry |
| 204.893 g/mol | RDKit | |
| 202.894523424 g/mol | RDKit | |
| Canonical SMILES | Br.BrCCN | CAS Common Chemistry |
| InChI | InChI=1S/C2H6BrN.BrH/c3-1-2-4;/h1-2,4H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=WJAXXWSZNSFVNG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 168 °C | CAS Common Chemistry |
| Name | 2-Bromoethylamine hydrobromide | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 0.9179000000000002 | RDKit |
| Molar Refractivity | 33.1704 | RDKit |
