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Molecule
Dimethyldioctadecylammonium Chloride
CAS: 107-64-2 · C38H80ClN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 107-64-2
- Molecular Formula
- C38H80ClN
- Molecular Mass
- 586.52 g/mol
Identifiers
CAS Registry Number
107-64-2
SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Cl-]
InChI Key
REZZEXDLIUJMMS-UHFFFAOYSA-M
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
Names and Synonyms
- Dimethyldioctadecylammonium Chloride Common Name
- 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, chloride (1:1) Synonym
- Dimethyldioctadecylammonium chloride Synonym
- Ammonium, dimethyldioctadecyl-, chloride Synonym
- 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, chloride Synonym
- Aliquat 207 Synonym
- Talofloc Synonym
- N,N-Dioctadecyl-N,N-dimethylammonium chloride Synonym
- KD 83 Synonym
- Arquad R 40 Synonym
- Arosurf TA 100 Synonym
- Quaternium 5 Synonym
- Varisoft 100 Synonym
- Genamin DSAC Synonym
- Di-n-octadecyldimethylammonium chloride Synonym
- Dimethyldistearylammonium chloride Synonym
- Cedequat TD 75 Synonym
- Surfroyal DSAC Synonym
- Sokalan 9200 Synonym
- Arquad 218-100 Synonym
- Arquad 218-100P Synonym
- Ammonyx 2200P100 Synonym
- Dioctadecyldimethylammonium chloride Synonym
- Distearyldimethylammonium chloride Synonym
- Kemamine Q 9702CLP Synonym
- Dehyquart DAM Synonym
- CA 3475 Synonym
- Distearyldimonium chloride Synonym
- Adogen TA 100 Synonym
- Quartamin D 86 Synonym
- Cation DS Synonym
- DODAC Synonym
- Quartamin DM 86P Synonym
- DODA(Cl) Synonym
- Varisoft TA 100 Synonym
- Arosurf TA 101 Synonym
- Aerosurf TA 101 Synonym
- Arquad 218P75E Synonym
- Dimethyldioctadecanylammonium chloride Synonym
- HYQMD 1821C Synonym
- Genamin DSAC 20 Synonym
- Arquad 2HP Synonym
- Ammoeng 130 Synonym
- Nikkol CA 3475V Synonym
- TA 101 Synonym
- DHAC Synonym
- Swanol CA 3475 Synonym
- Quartamin D 85P Synonym
- Arquad 2HP-75 Synonym
- Genamin DSAP Synonym
- Cation DSV Synonym
- Quartamin D 86P Synonym
- D 86P Synonym
- Distearic dimethyl ammonium chloride Synonym
- D 1821 Synonym
- Pionin B 8811 Synonym
- Lipoquad 2HP75 Synonym
- Genamin DSAC 75 Synonym
- Preapagem WB Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 586.52 g/mol | CAS Common Chemistry |
| 586.5180000000004 g/mol | RDKit | |
| 586.518 g/mol | RDKit | |
| 586.515 g/mol | chempirical lib | |
| Density | 0.86 g/cm³ | CAS Common Chemistry |
| 0.86 g/cm3 @ 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 |
| 10.5898 | RDKit | |
| Molar Refractivity | 180.93439999999947 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 585.59792924 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 586.52 g/mol; density = 0.860 g/mL. Edit any field — others recompute live.
