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Molecule
(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
Identifiers
CAS Registry Number
2862-39-7
SMILES
Br.CN(C)CCBr
InChI Key
MFRUVSDIZTZFFL-UHFFFAOYSA-N
InChI
InChI=1S/C4H10BrN.BrH/c1-6(2)4-3-5;/h3-4H2,1-2H3;1H
Names and Synonyms
- (2-Bromoethyl)Dimethylamine Hydrobromide Common Name
- Ethanamine, 2-bromo-N,N-dimethyl-, hydrobromide (1:1) Synonym
- Ethylamine, 2-bromo-N,N-dimethyl-, hydrobromide Synonym
- Ethanamine, 2-bromo-N,N-dimethyl-, hydrobromide Synonym
- 2-Dimethylamino-1-bromoethane hydrobromide Synonym
- β-Dimethylaminoethyl bromide hydrobromide Synonym
- (2-Bromoethyl)dimethylamine hydrobromide Synonym
- 2-(Dimethylamino)ethyl bromide hydrobromide Synonym
- 2-(N,N-Dimethylamino)ethyl bromide hydrobromide Synonym
- N-(2-Bromoethyl)dimethylamine hydrobromide Synonym
- 2-Bromo-N,N-dimethylethan-1-amine hydrobromide Synonym
- 2-Bromo-N,N-dimethylethanamine hydrobromide Synonym
- 2-bromo-N,N-dimethylethan-1-amine hydrobromide (1:1) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 232.95 g/mol | CAS Common Chemistry |
| 232.94699999999997 g/mol | RDKit | |
| 232.947 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 |
| 3.01 Ų | chempirical lib | |
| LogP | 1.5208000000000002 | RDKit |
| 1.5208 | RDKit | |
| Molar Refractivity | 42.67000000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 230.925823552 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 232.95 g/mol. Edit any field — others recompute live.
