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Molecule
Tetradecyltrimethylammonium Bromide
CAS: 1119-97-7 · C17H38BrN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1119-97-7
- Molecular Formula
- C17H38BrN
- Molecular Mass
- 336.40 g/mol
Identifiers
CAS Registry Number
1119-97-7
SMILES
CCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
InChI Key
CXRFDZFCGOPDTD-UHFFFAOYSA-M
InChI
InChI=1S/C17H38N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1
Names and Synonyms
- Tetradecyltrimethylammonium Bromide Common Name
- 1-Tetradecanaminium, N,N,N-trimethyl-, bromide (1:1) Synonym
- Ammonium, trimethyltetradecyl-, bromide Synonym
- Trimethyltetradecylammonium bromide Synonym
- 1-Tetradecanaminium, N,N,N-trimethyl-, bromide Synonym
- Morpan T Synonym
- Tetradonium bromide Synonym
- Mytab Synonym
- Myristyltrimethylammonium bromide Synonym
- Trimethylmyristylammonium bromide Synonym
- N,N,N-Trimethyl-1-tetradecanaminium bromide Synonym
- Quaternium 13 Synonym
- n-Tetradecyltrimethylammonium bromide Synonym
- MTAB Synonym
- Querton 14Br40 Synonym
- Tetradecyltrimethylammonium bromide Synonym
- TTAB Synonym
- TTAB (surfactant) Synonym
- Pentonium 4Br40 Synonym
- Microcide II Synonym
- Myrtrimonium bromide Synonym
- Cetrimide BP Synonym
- N-Tetradecyl-N,N,N-trimethylammonium bromide Synonym
- (1-Tetradecyl)trimethylammonium bromide Synonym
- C14TAB Synonym
- MiTMAB Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 336.40 g/mol | CAS Common Chemistry |
| 336.40199999999993 g/mol | RDKit | |
| 336.402 g/mol | RDKit | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 1.00 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [Br-].CCCCCCCCCCCCCC[N+](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C17H38N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=CXRFDZFCGOPDTD-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 247.5 °C | CAS Common Chemistry |
| Name | Tetradecyltrimethylammonium bromide | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 13 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.3977000000000004 | RDKit |
| 2.3977 | RDKit | |
| Molar Refractivity | 83.97740000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 335.218762316 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
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MW = 336.40 g/mol; density = 1.000 g/mL. Edit any field — others recompute live.
