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Dodecyltrimethylammonium Chloride
CAS: 112-00-5 | C15H34ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 112-00-5
- Molecular Formula
- C15H34ClN
- Molecular Mass
- 263.90 g/mol
Identifiers
CAS Registry Number
112-00-5
SMILES
CCCCCCCCCCCC[N+](C)(C)C.[Cl-]
InChI Key
DDXLVDQZPFLQMZ-UHFFFAOYSA-M
InChI
InChI=1S/C15H34N.ClH/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 Chloride Common Name
- E 010077 Synonym
- 1-Dodecanaminium, N,N,N-trimethyl-, chloride (1:1) Synonym
- Ammonium, dodecyltrimethyl-, chloride Synonym
- Dodecyltrimethylammonium chloride Synonym
- 1-Dodecanaminium, N,N,N-trimethyl-, chloride Synonym
- Aliquat 4 Synonym
- Arquad 12D Synonym
- Lauryltrimethylammonium chloride Synonym
- Trimethyllaurylammonium chloride Synonym
- Trimethyldodecylammonium chloride Synonym
- n-Dodecyltrimethylammonium chloride Synonym
- Arquad 12 Synonym
- Nissan Cation BB Synonym
- Alicop Synonym
- Cation FB Synonym
- Cation BB Synonym
- Rewoquat B 18 Synonym
- Dehyquart LT Synonym
- Redicote E 5 Synonym
- Nissan Cation FB Synonym
- Catiogen L Synonym
- DTAC Synonym
- Arquad 12-50 Synonym
- N-Dodecyl-N,N,N-trimethylammonium chloride Synonym
- Monolauryltrimethylammonium chloride Synonym
- N,N,N-Trimethyl-1-dodecanaminium chloride Synonym
- Quartamin 24W Synonym
- Laurtrimonium chloride Synonym
- Arquad 12-33 Synonym
- Rhodaquat M 242C29 Synonym
- Swanol CA 2150 Synonym
- Adogen 412 Synonym
- Catinal LTC 35A Synonym
- Nissan Cation BB 300 Synonym
- Arquad 12-23 Synonym
- Arquad 12-37W Synonym
- Radiaquat 6465 Synonym
- Arquad 12-25 Synonym
- CA 2150 Synonym
- Catiogen TML Synonym
- I 0453 Synonym
- Lauryltrimonium chloride Synonym
- Pionin B 111 Synonym
- Quartamin 24 Synonym
- Quartamin 24P Synonym
- N-Lauryl-N,N,N-trimethylammonium chloride Synonym
- N-Lauryltrimethylammonium chloride Synonym
- Germicide 1231 Synonym
- Emal 60W Synonym
- C12TAC Synonym
- Cationic 1231 Synonym
- Cationic Surfactant 1231 Synonym
- Lipoquad 12-37W Synonym
- Fentacare 1231-37 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 263.90 g/mol | CAS Common Chemistry |
| 263.89699999999993 g/mol | RDKit | |
| 263.897 g/mol | RDKit | |
| 263.894 g/mol | chempirical lib | |
| Canonical SMILES | [Cl-].CCCCCCCCCCCC[N+](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H34N.ClH/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=DDXLVDQZPFLQMZ-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 37 °C | CAS Common Chemistry |
| Name | Dodecyltrimethylammonium chloride | 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 | 263.237977768 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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.
