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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 Weight:
368.049 g/mol
Names and Synonyms:
Benzyldimethyltetradecylammonium Chloride
Myristyl benzyl dimethyl ammonium chloride
TDBAC
N-Tetradecyl-N-benzyl-N,N-dimethylammonium chloride
Ammonyx
M 2-100R
Cation M 2-100R
Nissan Cation M 2-100R
TDMBAC
Zephyramine (surfactant)
Zephyramine
JAQ Powdered Quat
Zeph
N-Benzyl-N,N-dimethyltetradecylammonium chloride
Cyncal
Myristalkonium chloride
Miristalkonium chloride
M 2-100
Arquad DM 14B90
14BCL
Querton 14BCL
Nissan Cation M 2-100
Cation M 2-100
N,N-Dimethyl-N-tetradecylbenzenemethanaminium chloride
Sanisol M 100
Benzyl(tetradecyl)dimethylammonium chloride
N-Tetradecyl-N,N-dimethylbenzylammonium chloride
Zephiramine chloride
N-Benzyl-N-tetradecyldimethylammonium chloride
Barquat MS 100
Dimethylbenzylmyristylammonium chloride
Sanibond 200LG
Quarton 14BCl
Tetradecylbenzyldimethylammonium chloride
N-Benzyl-N,N-dimethylmyristylammonium chloride
Zephiramine
Tetradecyldimethylbenzylammonium chloride
Myristyldimethylbenzylammonium chloride
Dimethylbenzyltetradecylammonium chloride
Dibactol
BTC 824P100
Benzenemethanaminium, N,N-dimethyl-N-tetradecyl-, chloride
Ammonium, benzyldimethyltetradecyl-, chloride
Benzyldimethyltetradecylammonium chloride
Benzenemethanaminium, N,N-dimethyl-N-tetradecyl-, chloride (1:1)
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
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 | 368.05 g/mol | Legacy Database |
| cas-canonical-smile | [Cl-].C=1C=CC(=CC1)C[N+](C)(C)CCCCCCCCCCCCCC None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=OCBHHZMJRVXXQK-UHFFFAOYSA-M None | Legacy Database |
| cas-melting-point | 63 °C None | Legacy Database |
| cas-name | Benzyldimethyltetradecylammonium chloride None | Legacy Database |
| LogP | 3.9681000000000024 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 368.049 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 367.300578024 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 25 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 15 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 108.1994000000001 | RDKit |
