Tetradodecylammonium Iodide

CAT: 0127-OR1076749-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1076749-01Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

40797-39-5

MDL Number

MFCD00051856

Purity

98%

Smiles

CCCCCCCCCCCC[N+] (CCCCCCCCCCCC) (CCCCCCCCCCCC) CCCCCCCCCCCC.[I-]

Chemical Information

Tetradodecylammonium iodide

CAS Number	40797-39-5
PubChem CID	3084801
IUPAC Name	tetradodecylazanium iodide
Molecular Formula	C48H100IN
Molecular Weight	818.2
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	44
Heavy Atom Count	50
Formal Charge	0
Complexity	468

SMILES

CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC.[I-]

InChI

InChI=1S/C48H100N.HI/c1-5-9-13-17-21-25-29-33-37-41-45-49(46-42-38-34-30-26-22-18-14-10-6-2,47-43-39-35-31-27-23-19-15-11-7-3)48-44-40-36-32-28-24-20-16-12-8-4;/h5-48H2,1-4H3;1H/q+1;/p-1

InChIKey

OBMLOTDECOTAGU-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 40797-39-5

CID: 3084801

Formula: C48H100IN

MW: 818.2

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	818.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	44
Exact Mass	817.69005
Monoisotopic Mass	817.69005
Topological Polar Surface Area	0 Å²
Heavy Atom Count	50
Formal Charge	0
Complexity	468
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

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Alternative Products

Catalog	Name
sc-258223	Tetradodecylammonium nitrate
sc-237030	Tetradodecylammonium bromide
sc-507202	Tetradodecylammonium tetrakis (4-chlorophenyl) borate
MA-0228	Iodide
056195-01	Cuprous Iodide for Synthesis (Copper (I) Iodide)
M19890-01	Isopropamide Iodide
M18267-01	Acetylcholine iodide
S08310-01	Stannic Iodide
E15415-01	Ethyltrimethylammonium iodide
B7758-10	Propidium iodide

Tetradodecylammonium Iodide

Chemical Information

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