Dimethyldioctadecylammonium chloride

C₃₈H₈₀ClNCAS 107-64-2586.52 g/mol

Open in Covalent MOL file

Quaternary ammonium

Properties

Molecular formula: C₃₈H₈₀ClN
Molar mass: 586.52 g/mol
Exact mass: 585.5979 Da
Density: 0.86 g/mL (at 60 °C)
Melting point: 67 °C
Water solubility: insoluble
logP: 10.59Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 34

Hazards

Danger

H318 Causes serious eye damageSerious eye damage/eye irritation
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 612-162-00-5), via PubChem.

Precautionary statements

P264+P265, P273, P280, P305+P354+P338, P317, P391, P501

Identifiers

CAS number

107-64-2

SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Cl-]

InChIKey

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

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

57 names · show all

1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, chloride (1:1)
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

Work with Dimethyldioctadecylammonium chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Dimethyldioctadecylammonium bromide3700-67-2Salt

Similar compounds

Octyldecyldimethylammonium chloride32426-11-2100 % similar Dilauryldimethylammonium chloride3401-74-9100 % similar Dioctyldimethylammonium chloride5538-94-3100 % similar Didecyldimethylammonium chloride7173-51-5100 % similar Mepiquat chloride24307-26-475 % similar Didecyl dimethyl ammonium bromide2390-68-374 % similar Didodecyldimethylammonium bromide3282-73-374 % similar Dihexadecyldimethylammonium bromide70755-47-474 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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