Cetyltrimethylammonium hydrogensulfate

CAT: 0024-sc-239496Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-239496Size:5 g

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CAS Number

68214-07-3

Chemical Information

1-Hexadecanaminium, N,N,N-trimethyl-, sulfate (1:1)

See also: Cetyltrimethylammonium (annotation moved to).

CAS Number	68214-07-3
PubChem CID	109763
IUPAC Name	hexadecyl(trimethyl)azanium;hydrogen sulfate
Molecular Formula	C19H43NO4S
Molecular Weight	381.6
Topological Polar Surface Area	85.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	15
Heavy Atom Count	25
Formal Charge	0
Complexity	257

SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C.OS(=O)(=O)[O-]

InChI

InChI=1S/C19H42N.H2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-5(2,3)4/h5-19H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1

InChIKey

UCRJJNVFJGKYQT-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 68214-07-3

CID: 109763

Formula: C19H43NO4S

MW: 381.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	381.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	15
Exact Mass	381.29128003
Monoisotopic Mass	381.29128003
Topological Polar Surface Area	85.8 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	257
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
sc-278833	Cetyltrimethylammonium Bromide
sc-278833B	Cetyltrimethylammonium Bromide
sc-227247	Aminoacetonitrile hydrogensulfate
sc-278833A	Cetyltrimethylammonium Bromide
sc-278833C	Cetyltrimethylammonium Bromide
sc-251187	Tetrahexylammonium hydrogensulfate
sc-237066	Tetramethylammonium hydrogensulfate hydrate
sc-475539	2,4,6-Triphenylpyrylium Hydrogensulfate

Catalog	Name
TRC-C281610-2.5G	Cetyltrimethylammonium Hydrogensulfate
HY-W040184-01	Tetramethylammonium (hydrogensulfate)
021432	Tetrabutylammonium Hydrogensulfate
MBS3601416-01	(+/-) Clopidogrel hydrogensulfate
FC13320-01	Cetyltrimethylammonium bromide
FC180339	Cetyltrimethylammonium chloride
FT147121-01	Tetrahexylammonium hydrogensulfate
HY-Y1045-01	Tetrabutylammonium (hydrogensulfate)
TYD-01383-01	Tetramethylammonium hydrogensulfate
GTR19163778-01	(±) Clopidogrel hydrogensulfate