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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 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.

External Resources

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

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