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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 Weight:
586.5180000000004 g/mol
Names and Synonyms:
Dimethyldioctadecylammonium Chloride
Preapagem WB
Genamin DSAC 75
Lipoquad 2HP75
Pionin B 8811
D 1821
Distearic dimethyl ammonium chloride
D 86P
Quartamin D 86P
Cation DSV
Genamin DSAP
Arquad 2HP-75
Quartamin D 85P
Swanol CA 3475
DHAC
TA 101
Nikkol CA 3475V
Ammoeng 130
Arquad 2HP
Genamin DSAC 20
HYQMD 1821C
Dimethyldioctadecanylammonium chloride
Arquad 218P75E
Aerosurf TA 101
Arosurf TA 101
Varisoft TA 100
DODA(Cl)
Quartamin DM 86P
DODAC
Cation DS
Quartamin D 86
Adogen TA 100
Distearyldimonium chloride
CA 3475
Dehyquart DAM
Kemamine Q 9702CLP
Distearyldimethylammonium chloride
Dioctadecyldimethylammonium chloride
Ammonyx 2200P100
Arquad 218-100P
Arquad 218-100
Sokalan 9200
Surfroyal DSAC
Cedequat TD 75
Dimethyldistearylammonium chloride
Di-n-octadecyldimethylammonium chloride
Genamin DSAC
Varisoft 100
Quaternium 5
Arosurf TA 100
Arquad R 40
KD 83
N,N-Dioctadecyl-N,N-dimethylammonium chloride
Talofloc
Aliquat 207
1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, chloride
Ammonium, dimethyldioctadecyl-, chloride
Dimethyldioctadecylammonium chloride
1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, chloride (1:1)
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
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 586.5180000000004 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 585.59792924 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 40 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 34 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 10.589799999999993 | RDKit |
| molecular_mass | 586.52 g/mol | Legacy Database |
| density | 0.86 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Dimethyldioctadecylammonium_chloride None | Legacy Database |
| cas-canonical-smile | [Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC None | Legacy Database |
| cas-density | 0.86 g/cm3 @ Temp: 60 °C None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=REZZEXDLIUJMMS-UHFFFAOYSA-M None | Legacy Database |
| cas-melting-point | 67 °C None | Legacy Database |
| cas-name | Distearyldimethylammonium chloride None | Legacy Database |
| wikipedia-name | Dimethyldioctadecylammonium chloride None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 180.93439999999947 | RDKit |
