Dimethyldioctylammonium chloride

CAT: 0127-OR1044054-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR1044054-01Size:25 g

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CAS Number

5538-94-3

Synonyms

Dimethyl (dioctyl) azanium; chloride

Purity

80%

Smiles

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

Chemical Information

Dioctyldimethylammonium chloride

Dioctyldimethylammonium chloride is a quaternary ammonium salt.

CAS Number	5538-94-3
PubChem CID	62581
IUPAC Name	dimethyl(dioctyl)azanium chloride
Molecular Formula	C18H40ClN
Molecular Weight	306.0
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	14
Heavy Atom Count	20
Formal Charge	0
Complexity	157

SMILES

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

InChI

InChI=1S/C18H40N.ClH/c1-5-7-9-11-13-15-17-19(3,4)18-16-14-12-10-8-6-2;/h5-18H2,1-4H3;1H/q+1;/p-1

InChIKey

FARBQUXLIQOIDY-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 5538-94-3

CID: 62581

Formula: C18H40ClN

MW: 306.0

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	306.0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	14
Exact Mass	305.2849280
Monoisotopic Mass	305.2849280
Topological Polar Surface Area	0 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	157
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
OR72849-01	Dimethyldioctylammonium bromide
IN12159	Titanium (III) chloride-aluminum chloride
PC6894-01	Tetrafluorosuccinyl chloride
BUP19587	Cesium chloride
BUP18653-01	Palmatine chloride
BUP18362	Acetylcholine chloride
OR1003393-01	Cyclopentylacetyl chloride
OR1002988-01	Diethylsulphamoyl chloride
OR1024592-01	Iodoacetyl Chloride
OR12994-01	Cyclopentanesulphonyl chloride

Catalog	Name
5538-94-3	Dimethyldioctylammonium chloride
CS-AZ-00136	Dimethyldioctylammonium bromide
HY-W127651	Dimethyldioctylammonium (bromide)
189775-01	Phenyl Methanesulphonyl Chloride (α-Toluenesulphonyl Chloride; Phenylmethylsulphonyl Chloride)
HY-W012954S-01	TMA chloride-d12 (chloride)
3125490	Tin chloride (stannous chloride)
3121645	Cobalt chloride (Cobaltous chloride)
3121825	Cupric chloride (Copper chloride)
sc-279274	Lithium chloride-potassium chloride
TRC-B188800-5G	Phenylacetyl Chloride(Benzeneacetyl Chloride)