Tetraheptylammonium bromide

CAT: 0926-FT13269-01Size: 50 gDry Ice: NoHazardous: No

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CAT#:0926-FT13269-01Size:50 g

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CAS Number

4368-51-8

MDL Number

MFCD00011861

Smiles

CCCCCCC[N+] (CCCCCCC) (CCCCCCC) CCCCCCC.[Br-]

Molecular Formula

C28H60BrN

Molecular Weight

490.69 g/mol

Controlled

Chemical Information

Tetraheptylammonium bromide

CAS Number	4368-51-8
PubChem CID	78073
IUPAC Name	tetraheptylazanium bromide
Molecular Formula	C28H60BrN
Molecular Weight	490.7
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	24
Heavy Atom Count	30
Formal Charge	0
Complexity	237

SMILES

CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC.[Br-]

InChI

InChI=1S/C28H60N.BrH/c1-5-9-13-17-21-25-29(26-22-18-14-10-6-2,27-23-19-15-11-7-3)28-24-20-16-12-8-4;/h5-28H2,1-4H3;1H/q+1;/p-1

InChIKey

YQIVQBMEBZGFBY-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 4368-51-8

CID: 78073

Formula: C28H60BrN

MW: 490.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	490.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	24
Exact Mass	489.39091
Monoisotopic Mass	489.39091
Topological Polar Surface Area	0 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	237
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
IR178405-01	Rocuronium Bromide EP Impurity F Bromide
FI44992-01	Ipratropium bromide
XC184310-01	Cholesteryl bromide
FD61447-01	Decamethonium bromide
FD33733-01	Dodecylpyridinium bromide
FD33327-01	Domiphen bromide
FC152009-01	Cimetropium bromide
FC13320-01	Cetyltrimethylammonium bromide
FC03116-01	Cyclobutyl bromide
FC02319-01	Cyanogen bromide

Catalog	Name
GK5408-10g	Tetraheptylammonium bromide
657745-01	Tetraheptylammonium Bromide AR
T04610-01	Tetraheptylammonium bromide 98%
13783946-01	Tetraheptylammonium bromide C28H60BrN
HY-W010795-01	Tetraheptylammonium (bromide) (>98%, BC)
TYD-01308-01	Tetraheptylammonium iodide
HY-W127661-01	Tetraheptylammonium (iodide)
sc-229415A	Tetraheptylammonium chloride
T04620-01	Tetraheptylammonium chloride 95%
29309654-500g	Hexadecyltrimethylammonium bromide (Cetyltrimethylammonium bromide)