Back to Search
(2-Bromoethyl)Dimethylamine Hydrobromide
CAS: 2862-39-7 | C4H11Br2N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2862-39-7
Molecular Formula:
C4H11Br2N
Molecular Mass:
232.95 g/mol
Names and Synonyms:
(2-Bromoethyl)Dimethylamine Hydrobromide
Ethanamine, 2-bromo-N,N-dimethyl-, hydrobromide (1:1)
Ethylamine, 2-bromo-N,N-dimethyl-, hydrobromide
Ethanamine, 2-bromo-N,N-dimethyl-, hydrobromide
2-Dimethylamino-1-bromoethane hydrobromide
β-Dimethylaminoethyl bromide hydrobromide
(2-Bromoethyl)dimethylamine hydrobromide
2-(Dimethylamino)ethyl bromide hydrobromide
2-(N,N-Dimethylamino)ethyl bromide hydrobromide
N-(2-Bromoethyl)dimethylamine hydrobromide
2-Bromo-N,N-dimethylethan-1-amine hydrobromide
2-Bromo-N,N-dimethylethanamine hydrobromide
2-bromo-N,N-dimethylethan-1-amine hydrobromide (1:1)
Identifiers:
SMILES:
Br.CN(C)CCBr
InChI:
InChI=1S/C4H10BrN.BrH/c1-6(2)4-3-5;/h3-4H2,1-2H3;1H
Key Properties
Melting Point
188.5-188.9 °C @ Solvent: Ethyl acetate, Ethanol, 95%
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 | 232.95 g/mol | CAS Common Chemistry |
| 232.94699999999997 g/mol | RDKit | |
| 230.925823552 g/mol | RDKit | |
| Canonical SMILES | Br.BrCCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H10BrN.BrH/c1-6(2)4-3-5;/h3-4H2,1-2H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=MFRUVSDIZTZFFL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 188.5-188.9 °C @ Solvent: Ethyl acetate, Ethanol, 95% | CAS Common Chemistry |
| Name | (2-Bromoethyl)dimethylamine hydrobromide | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 1.5208000000000002 | RDKit |
| Molar Refractivity | 42.67000000000002 | RDKit |
