Back to Search
Dimethyldioctadecylammonium Chloride
CAS: 107-64-2 | C38H80ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
107-64-2
Molecular Formula:
C38H80ClN
Molecular Mass:
586.52 g/mol
Names and Synonyms:
Dimethyldioctadecylammonium Chloride
1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, chloride (1:1)
Dimethyldioctadecylammonium chloride
Ammonium, dimethyldioctadecyl-, chloride
1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, chloride
Aliquat 207
Talofloc
N,N-Dioctadecyl-N,N-dimethylammonium chloride
KD 83
Arquad R 40
Arosurf TA 100
Quaternium 5
Varisoft 100
Genamin DSAC
Di-n-octadecyldimethylammonium chloride
Dimethyldistearylammonium chloride
Cedequat TD 75
Surfroyal DSAC
Sokalan 9200
Arquad 218-100
Arquad 218-100P
Ammonyx 2200P100
Dioctadecyldimethylammonium chloride
Distearyldimethylammonium chloride
Kemamine Q 9702CLP
Dehyquart DAM
CA 3475
Distearyldimonium chloride
Adogen TA 100
Quartamin D 86
Cation DS
DODAC
Quartamin DM 86P
DODA(Cl)
Varisoft TA 100
Arosurf TA 101
Aerosurf TA 101
Arquad 218P75E
Dimethyldioctadecanylammonium chloride
HYQMD 1821C
Genamin DSAC 20
Arquad 2HP
Ammoeng 130
Nikkol CA 3475V
TA 101
DHAC
Swanol CA 3475
Quartamin D 85P
Arquad 2HP-75
Genamin DSAP
Cation DSV
Quartamin D 86P
D 86P
Distearic dimethyl ammonium chloride
D 1821
Pionin B 8811
Lipoquad 2HP75
Genamin DSAC 75
Preapagem WB
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Cl-]
InChI:
InChI=1S/C38H80N.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-38H2,1-4H3;1H/q+1;/p-1
Key Properties
Melting Point
67 °C
CAS Common Chemistry
Density
0.86 g/cm³
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 | 586.52 g/mol | CAS Common Chemistry |
| 586.5180000000004 g/mol | RDKit | |
| 585.59792924 g/mol | RDKit | |
| Density | 0.86 g/cm³ | CAS Common Chemistry |
| 0.86 g/cm3 @ Temp: 60 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dimethyldioctadecylammonium_chloride | CAS Common Chemistry |
| Canonical SMILES | [Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C38H80N.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-38H2,1-4H3;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=REZZEXDLIUJMMS-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 67 °C | CAS Common Chemistry |
| Name | Distearyldimethylammonium chloride | CAS Common Chemistry |
| Dimethyldioctadecylammonium chloride | CAS Common Chemistry | |
| Heavy Atom Count | 40 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 34 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 10.589799999999993 | RDKit |
| Molar Refractivity | 180.93439999999947 | RDKit |
