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Molecule
Benzyldimethyltetradecylammonium Chloride
CAS: 139-08-2 · C23H42ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 139-08-2
- Molecular Formula
- C23H42ClN
- Molecular Mass
- 368.05 g/mol
Identifiers
CAS Registry Number
139-08-2
SMILES
CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-]
InChI Key
OCBHHZMJRVXXQK-UHFFFAOYSA-M
InChI
InChI=1S/C23H42N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H/q+1;/p-1
Names and Synonyms
- Benzyldimethyltetradecylammonium Chloride Common Name
- Benzenemethanaminium, N,N-dimethyl-N-tetradecyl-, chloride (1:1) Synonym
- Benzyldimethyltetradecylammonium chloride Synonym
- Ammonium, benzyldimethyltetradecyl-, chloride Synonym
- Benzenemethanaminium, N,N-dimethyl-N-tetradecyl-, chloride Synonym
- BTC 824P100 Synonym
- Dibactol Synonym
- Dimethylbenzyltetradecylammonium chloride Synonym
- Myristyldimethylbenzylammonium chloride Synonym
- Tetradecyldimethylbenzylammonium chloride Synonym
- Zephiramine Synonym
- N-Benzyl-N,N-dimethylmyristylammonium chloride Synonym
- Tetradecylbenzyldimethylammonium chloride Synonym
- Quarton 14BCl Synonym
- Sanibond 200LG Synonym
- Dimethylbenzylmyristylammonium chloride Synonym
- Barquat MS 100 Synonym
- N-Benzyl-N-tetradecyldimethylammonium chloride Synonym
- Zephiramine chloride Synonym
- N-Tetradecyl-N,N-dimethylbenzylammonium chloride Synonym
- Benzyl(tetradecyl)dimethylammonium chloride Synonym
- Sanisol M 100 Synonym
- N,N-Dimethyl-N-tetradecylbenzenemethanaminium chloride Synonym
- Cation M 2-100 Synonym
- Nissan Cation M 2-100 Synonym
- Querton 14BCL Synonym
- 14BCL Synonym
- Arquad DM 14B90 Synonym
- M 2-100 Synonym
- Miristalkonium chloride Synonym
- Myristalkonium chloride Synonym
- Cyncal Synonym
- N-Benzyl-N,N-dimethyltetradecylammonium chloride Synonym
- Zeph Synonym
- JAQ Powdered Quat Synonym
- Zephyramine Synonym
- Zephyramine (surfactant) Synonym
- TDMBAC Synonym
- Nissan Cation M 2-100R Synonym
- Cation M 2-100R Synonym
- M 2-100R Synonym
- Ammonyx Synonym
- N-Tetradecyl-N-benzyl-N,N-dimethylammonium chloride Synonym
- TDBAC Synonym
- Myristyl benzyl dimethyl ammonium chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 368.05 g/mol | CAS Common Chemistry |
| 368.049 g/mol | RDKit | |
| 368.046 g/mol | chempirical lib | |
| Canonical SMILES | [Cl-].C=1C=CC(=CC1)C[N+](C)(C)CCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C23H42N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=OCBHHZMJRVXXQK-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 63 °C | CAS Common Chemistry |
| Name | Benzyldimethyltetradecylammonium chloride | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 15 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.9681000000000024 | RDKit |
| 3.9681 | RDKit | |
| Molar Refractivity | 108.1994000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7391 | RDKit |
| 0.74 | chempirical lib | |
| Exact Mass | 367.300578024 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 368.05 g/mol. Edit any field — others recompute live.
