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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 Weight:
263.89699999999993 g/mol
Names and Synonyms:
Dodecyltrimethylammonium Chloride
Monolauryltrimethylammonium chloride
Quartamin 24P
Quartamin 24
Pionin B 111
Lauryltrimonium chloride
I 0453
Catiogen TML
CA 2150
Arquad 12-25
Radiaquat 6465
Arquad 12-37W
Arquad 12-23
Nissan Cation BB 300
Catinal LTC 35A
Adogen 412
Swanol CA 2150
Rhodaquat M 242C29
Arquad 12-33
Laurtrimonium chloride
Quartamin 24W
N,N,N-Trimethyl-1-dodecanaminium chloride
N-Dodecyl-N,N,N-trimethylammonium chloride
Arquad 12-50
DTAC
Catiogen L
Nissan Cation FB
Redicote E 5
Dehyquart LT
Rewoquat B 18
Cation BB
Cation FB
Alicop
Nissan Cation BB
Arquad 12
n-Dodecyltrimethylammonium chloride
Trimethyldodecylammonium chloride
Trimethyllaurylammonium chloride
Lauryltrimethylammonium chloride
Arquad 12D
Aliquat 4
1-Dodecanaminium, N,N,N-trimethyl-, chloride
Dodecyltrimethylammonium chloride
Ammonium, dodecyltrimethyl-, chloride
1-Dodecanaminium, N,N,N-trimethyl-, chloride (1:1)
E 010077
Fentacare 1231-37
Lipoquad 12-37W
Cationic Surfactant 1231
Cationic 1231
C12TAC
Emal 60W
Germicide 1231
N-Lauryltrimethylammonium chloride
N-Lauryl-N,N,N-trimethylammonium chloride
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
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 263.90 g/mol | Legacy Database |
| cas-canonical-smile | [Cl-].CCCCCCCCCCCC[N+](C)(C)C None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=DDXLVDQZPFLQMZ-UHFFFAOYSA-M None | Legacy Database |
| cas-melting-point | 37 °C None | Legacy Database |
| cas-name | Dodecyltrimethylammonium chloride None | Legacy Database |
| LogP | 1.6175000000000002 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 263.89699999999993 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 263.237977768 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 17 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 11 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 74.74340000000008 | RDKit |
