Back to Search
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
Names and Synonyms:
Benzyldimethyltetradecylammonium Chloride
Benzenemethanaminium, N,N-dimethyl-N-tetradecyl-, chloride (1:1)
Benzyldimethyltetradecylammonium chloride
Ammonium, benzyldimethyltetradecyl-, chloride
Benzenemethanaminium, N,N-dimethyl-N-tetradecyl-, chloride
BTC 824P100
Dibactol
Dimethylbenzyltetradecylammonium chloride
Myristyldimethylbenzylammonium chloride
Tetradecyldimethylbenzylammonium chloride
Zephiramine
N-Benzyl-N,N-dimethylmyristylammonium chloride
Tetradecylbenzyldimethylammonium chloride
Quarton 14BCl
Sanibond 200LG
Dimethylbenzylmyristylammonium chloride
Barquat MS 100
N-Benzyl-N-tetradecyldimethylammonium chloride
Zephiramine chloride
N-Tetradecyl-N,N-dimethylbenzylammonium chloride
Benzyl(tetradecyl)dimethylammonium chloride
Sanisol M 100
N,N-Dimethyl-N-tetradecylbenzenemethanaminium chloride
Cation M 2-100
Nissan Cation M 2-100
Querton 14BCL
14BCL
Arquad DM 14B90
M 2-100
Miristalkonium chloride
Myristalkonium chloride
Cyncal
N-Benzyl-N,N-dimethyltetradecylammonium chloride
Zeph
JAQ Powdered Quat
Zephyramine
Zephyramine (surfactant)
TDMBAC
Nissan Cation M 2-100R
Cation M 2-100R
M 2-100R
Ammonyx
N-Tetradecyl-N-benzyl-N,N-dimethylammonium chloride
TDBAC
Myristyl benzyl dimethyl ammonium chloride
Identifiers:
SMILES:
CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-]
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
Key Properties
Melting Point
63 °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 | 368.05 g/mol | CAS Common Chemistry |
| 368.049 g/mol | RDKit | |
| 367.300578024 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 108.1994000000001 | RDKit |
