Back to Search
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
Names and Synonyms:
Dodecyltrimethylammonium Chloride
E 010077
1-Dodecanaminium, N,N,N-trimethyl-, chloride (1:1)
Ammonium, dodecyltrimethyl-, chloride
Dodecyltrimethylammonium chloride
1-Dodecanaminium, N,N,N-trimethyl-, chloride
Aliquat 4
Arquad 12D
Lauryltrimethylammonium chloride
Trimethyllaurylammonium chloride
Trimethyldodecylammonium chloride
n-Dodecyltrimethylammonium chloride
Arquad 12
Nissan Cation BB
Alicop
Cation FB
Cation BB
Rewoquat B 18
Dehyquart LT
Redicote E 5
Nissan Cation FB
Catiogen L
DTAC
Arquad 12-50
N-Dodecyl-N,N,N-trimethylammonium chloride
Monolauryltrimethylammonium chloride
N,N,N-Trimethyl-1-dodecanaminium chloride
Quartamin 24W
Laurtrimonium chloride
Arquad 12-33
Rhodaquat M 242C29
Swanol CA 2150
Adogen 412
Catinal LTC 35A
Nissan Cation BB 300
Arquad 12-23
Arquad 12-37W
Radiaquat 6465
Arquad 12-25
CA 2150
Catiogen TML
I 0453
Lauryltrimonium chloride
Pionin B 111
Quartamin 24
Quartamin 24P
N-Lauryl-N,N,N-trimethylammonium chloride
N-Lauryltrimethylammonium chloride
Germicide 1231
Emal 60W
C12TAC
Cationic 1231
Cationic Surfactant 1231
Lipoquad 12-37W
Fentacare 1231-37
Identifiers:
SMILES:
CCCCCCCCCCCC[N+](C)(C)C.[Cl-]
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
Key Properties
Melting Point
37 °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 | 263.90 g/mol | CAS Common Chemistry |
| 263.89699999999993 g/mol | RDKit | |
| 263.237977768 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 74.74340000000008 | RDKit |
