Back to Search
Decamethonium Bromide
CAS: 541-22-0 | C16H38Br2N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
541-22-0
Molecular Formula:
C16H38Br2N2
Molecular Mass:
418.30 g/mol
Names and Synonyms:
Decamethonium Bromide
1,10-Decanediaminium, N1,N1,N1,N10,N10,N10-hexamethyl-, bromide (1:2)
Ammonium, decamethylenebis[trimethyl-, dibromide
1,10-Decanediaminium, N,N,N,N′,N′,N′-hexamethyl-, dibromide
Ammonium, decamethylenebis[trimethyl- bromide]
C 10 (onium compound)
Decamethonium dibromide
Decamethylenebis[trimethylammonium bromide]
Decamethylene-1,10-bistrimethylammonium dibromide
Syncurine
Decamethonium bromide
Decacuran
C 10
Identifiers:
SMILES:
C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[Br-].[Br-]
InChI:
InChI=1S/C16H38N2.2BrH/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6;;/h7-16H2,1-6H3;2*1H/q+2;;/p-2
Key Properties
Melting Point
268-270 °C (decomp)
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 | 418.30 g/mol | CAS Common Chemistry |
| 418.3019999999999 g/mol | RDKit | |
| 416.1401734159999 g/mol | RDKit | |
| Canonical SMILES | [Br-].C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C16H38N2.2BrH/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6;;/h7-16H2,1-6H3;2*1H/q+2;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=HLXQFVXURMXRPU-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 268-270 °C (decomp) | CAS Common Chemistry |
| Name | Decamethonium bromide | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -2.4723999999999915 | RDKit |
| Molar Refractivity | 82.73480000000008 | RDKit |
