Cetrimide 96% Extrapure

CAT: 1278-00730 00500Size: 500 gDry Ice: NoHazardous: No

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CAT#:1278-00730 00500Size:500 g

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CAS Number

1119-97-7

HS Code

29239000

Packaging Group

Chemical Information

Tetradecyltrimethylammonium bromide

Cetrimide is an organic molecular entity.

CAS Number	1119-97-7
PubChem CID	14250
IUPAC Name	trimethyl(tetradecyl)azanium bromide
Molecular Formula	C17H38BrN
Molecular Weight	336.4
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	13
Heavy Atom Count	19
Formal Charge	0
Complexity	157

SMILES

CCCCCCCCCCCCCC[N+](C)(C)C.[Br-]

InChI

InChI=1S/C17H38N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1

InChIKey

CXRFDZFCGOPDTD-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 1119-97-7

CID: 14250

Formula: C17H38BrN

MW: 336.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	336.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	13
Exact Mass	335.21876
Monoisotopic Mass	335.21876
Topological Polar Surface Area	0 Å²
Heavy Atom Count	19
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

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