Back to Search
Benzyldodecyldimethylammonium Chloride
CAS: 139-07-1 | C21H38ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
139-07-1
Molecular Formula:
C21H38ClN
Molecular Mass:
340.00 g/mol
Names and Synonyms:
Benzyldodecyldimethylammonium Chloride
Benzenemethanaminium, N-dodecyl-N,N-dimethyl-, chloride (1:1)
Benzyldodecyldimethylammonium chloride
Ammonium, benzyldodecyldimethyl-, chloride
Benzenemethanaminium, N-dodecyl-N,N-dimethyl-, chloride
Bas 2631
Benzododecinium chloride
Catigene OM
Dimethylbenzyldodecylammonium chloride
Dodecylbenzyldimethylammonium chloride
Dodecyldimethylbenzylammonium chloride
Lauryldimethylbenzylammonium chloride
Noramium DA 50
Vantoc CL
N-Dodecyl-N,N-dimethylbenzenemethanaminium chloride
Benzyldimethyllaurylammonium chloride
Benzyllauryldimethylammonium chloride
Dimethyldodecylbenzylammonium chloride
Lauryl benzalkonium chloride
Laurylbenzyldimethylammonium chloride
Cequartyl A
Benzyldimethyldodecylammonium chloride
Dimethylbenzyllaurylammonium chloride
Dehyquart LDB
N-Benzyl-N-dodecyl-N,N-dimethylammonium chloride
N-Dodecyl-N,N-dimethyl-N-benzylammonium chloride
DYK 1125
Catiolite BC 50
Swanol CA 100
Dimethylaurylbenzylammonium chloride
Rolcril
Orthosan HM
Zephirol
Swanol CA 101
Dimethyllaurylbenzylammonium chloride
Rewoquat B 50
Tetranil BC 80
Catiogen PAN
Loraquat B 50
Retarder N
Catinal CB 50
Texnol R 5
QBA 1211
Lauralkonium chloride
Katamin AB 18
Croda N-Dodecyl
Cationic 1227
Leveling Agent 1227
Pionin B 231
N-Lauryl-N,N-dimethyl-N-benzylammonium chloride
Catiogen BC 50
Accelerator 1227
Surfactant 1227
BenzylQUAT?
Germicide 1227
BAC 12
Cationic Surfactant 1227
BTC 1218-50
D 1227
QBA 1211S
Identifiers:
SMILES:
CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-]
InChI:
InChI=1S/C21H38N.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1
Key Properties
Melting Point
42 °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 | 340.00 g/mol | CAS Common Chemistry |
| 339.995 g/mol | RDKit | |
| 339.269277896 g/mol | RDKit | |
| Canonical SMILES | [Cl-].C=1C=CC(=CC1)C[N+](C)(C)CCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C21H38N.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=JBIROUFYLSSYDX-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 42 °C | CAS Common Chemistry |
| Name | Benzyldodecyldimethylammonium chloride | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 13 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.1879000000000017 | RDKit |
| Molar Refractivity | 98.96540000000009 | RDKit |
