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Dodecyltrimethylammonium Bromide
CAS: 1119-94-4 | C15H34BrN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1119-94-4
Molecular Formula:
C15H34BrN
Molecular Mass:
308.35 g/mol
Names and Synonyms:
Dodecyltrimethylammonium Bromide
1-Dodecanaminium, N,N,N-trimethyl-, bromide (1:1)
Ammonium, dodecyltrimethyl-, bromide
1-Dodecanaminium, N,N,N-trimethyl-, bromide
Dodecyltrimethylammonium bromide
n-Dodecyltrimethylammonium bromide
Lauryltrimethylammonium bromide
Morpan D
Trimethyldodecylammonium bromide
Trimethyllaurylammonium bromide
N,N,N-Trimethyl-1-dodecanaminium bromide
N-Lauryl-N,N,N-trimethylammonium bromide
Dctab
DTAB
DTAB (surfactant)
FSM 23
N,N,N-Trimethyldodecan-1-ammonium bromide
LTAB
N-Dodecyl-N,N,N-trimethylammonium bromide
DDTMA
C 12TAB
C12TAB
Laurtrimonium bromide
Identifiers:
SMILES:
CCCCCCCCCCCC[N+](C)(C)C.[Br-]
InChI:
InChI=1S/C15H34N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1
Key Properties
Melting Point
228-230 °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 | 308.35 g/mol | CAS Common Chemistry |
| 308.34799999999996 g/mol | RDKit | |
| 307.187462188 g/mol | RDKit | |
| Canonical SMILES | [Br-].CCCCCCCCCCCC[N+](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H34N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=XJWSAJYUBXQQDR-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 228-230 °C | CAS Common Chemistry |
| Name | Dodecyltrimethylammonium bromide | CAS Common Chemistry |
| Heavy Atom Count | 17 | 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 | 1.6175000000000002 | RDKit |
| Molar Refractivity | 74.74340000000008 | RDKit |
