Tetrabutylammonium hydrogensulfate

CAT: 0926-FT28066-01Size: 1000 gDry Ice: NoHazardous: No

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CAT#:0926-FT28066-01Size:1000 g

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CAS Number

32503-27-8

Synonyms

N, N, N-Tributyl-1-butanaminium sulfate; Tetrabutyl-ammonium sulfate; Tetrabutylammonium hydrogen sulfate

MDL Number

MFCD00011637

Smiles

CCCC[N+] (CCCC) (CCCC) CCCC.OS (=O) (=O) [O-]

Molecular Formula

C16H37NO4S

Molecular Weight

339.54 g/mol

Controlled

Chemical Information

Tetrabutylammonium hydrogen sulfate

CAS Number	32503-27-8
PubChem CID	94433
IUPAC Name	hydrogen sulfate;tetrabutylazanium
Molecular Formula	C16H37NO4S
Molecular Weight	339.5
Topological Polar Surface Area	85.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	12
Heavy Atom Count	22
Formal Charge	0
Complexity	192

SMILES

CCCC[N+](CCCC)(CCCC)CCCC.OS(=O)(=O)[O-]

InChI

InChI=1S/C16H36N.H2O4S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h5-16H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1

InChIKey

SHFJWMWCIHQNCP-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 32503-27-8

CID: 94433

Formula: C16H37NO4S

MW: 339.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	339.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	12
Exact Mass	339.24432984
Monoisotopic Mass	339.24432984
Topological Polar Surface Area	85.8 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	192
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
FT147121-01	Tetrahexylammonium hydrogensulfate
HIA73807-01	Tetramethylammonium hydrogensulfate hydrate
QCA41149-01	Tetrabutylammonium methanesulfonate
FT61579-01	Tetrabutylammonium nitrite
FT60389-01	Tetrabutylammonium difluorotriphenylsilicate
FT166593-01	Tetrabutylammonium acetate
AEA68354-01	Malondialdehyde tetrabutylammonium
NAA05375	Tetrabutylammonium Dichlorobromide
FT170474-01	Tetrabutylammonium cyanide
ACA48101-01	Tetrabutylammonium Dibromoaurate

Catalog	Name
021432	Tetrabutylammonium Hydrogensulfate
HY-Y1045-01	Tetrabutylammonium (hydrogensulfate)
HY-W040184-01	Tetramethylammonium (hydrogensulfate)
MBS3601416-01	(+/-) Clopidogrel hydrogensulfate
TRC-C281610-2.5G	Cetyltrimethylammonium Hydrogensulfate
sc-227247	Aminoacetonitrile hydrogensulfate
TYD-01383-01	Tetramethylammonium hydrogensulfate
sc-251187	Tetrahexylammonium hydrogensulfate
GTR19163778-01	(±) Clopidogrel hydrogensulfate
CS-O-02930	Clopidogrel-d4 Hydrogensulfate