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Molecule
Dodecyltrimethylammonium Bromide
CAS: 1119-94-4 · C15H34BrN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1119-94-4
- Molecular Formula
- C15H34BrN
- Molecular Mass
- 308.35 g/mol
Identifiers
CAS Registry Number
1119-94-4
SMILES
CCCCCCCCCCCC[N+](C)(C)C.[Br-]
InChI Key
XJWSAJYUBXQQDR-UHFFFAOYSA-M
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
Names and Synonyms
- Dodecyltrimethylammonium Bromide Common Name
- 1-Dodecanaminium, N,N,N-trimethyl-, bromide (1:1) Synonym
- Ammonium, dodecyltrimethyl-, bromide Synonym
- 1-Dodecanaminium, N,N,N-trimethyl-, bromide Synonym
- Dodecyltrimethylammonium bromide Synonym
- n-Dodecyltrimethylammonium bromide Synonym
- Lauryltrimethylammonium bromide Synonym
- Morpan D Synonym
- Trimethyldodecylammonium bromide Synonym
- Trimethyllaurylammonium bromide Synonym
- N,N,N-Trimethyl-1-dodecanaminium bromide Synonym
- N-Lauryl-N,N,N-trimethylammonium bromide Synonym
- Dctab Synonym
- DTAB Synonym
- DTAB (surfactant) Synonym
- FSM 23 Synonym
- N,N,N-Trimethyldodecan-1-ammonium bromide Synonym
- LTAB Synonym
- N-Dodecyl-N,N,N-trimethylammonium bromide Synonym
- DDTMA Synonym
- C 12TAB Synonym
- C12TAB Synonym
- Laurtrimonium bromide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 308.35 g/mol | CAS Common Chemistry |
| 308.34799999999996 g/mol | RDKit | |
| 308.348 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 |
| 1.6175 | RDKit | |
| Molar Refractivity | 74.74340000000008 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 307.187462188 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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0 ppm
| 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 = 308.35 g/mol. Edit any field — others recompute live.
