Pinacyanol bromide

CAT: 0024-sc-215722Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-215722Size:1 g

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CAS Number

2670-67-9

Chemical Information

Pinacyanol bromide

CAS Number	2670-67-9
PubChem CID	16211815
IUPAC Name	(2E)-1-ethyl-2-[(E)-3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline bromide
Molecular Formula	C25H25BrN2
Molecular Weight	433.4
Topological Polar Surface Area	7.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	28
Formal Charge	0
Complexity	527

SMILES

CCN1/C(=C/C=C/C2=[N+](C3=CC=CC=C3C=C2)CC)/C=CC4=CC=CC=C41.[Br-]

InChI

InChI=1S/C25H25N2.BrH/c1-3-26-22(18-16-20-10-5-7-14-24(20)26)12-9-13-23-19-17-21-11-6-8-15-25(21)27(23)4-2;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1

InChIKey

COPIHGSSCONEQG-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 2670-67-9

CID: 16211815

Formula: C25H25BrN2

MW: 433.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	433.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	432.12011
Monoisotopic Mass	432.12011
Topological Polar Surface Area	7.1 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	527
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
sc-215723	Pinacyanol chloride
sc-215723A	Pinacyanol chloride
sc-208427A	Tetrabutylammonium bromide
sc-250403	Methyltrioctylammonium bromide
sc-475373B	Cesium bromide
sc-358244	Heptafluorobutyryl bromide
sc-296496A	Tetraethylphosphonium Bromide
sc-296496	Tetraethylphosphonium Bromide
sc-251185	Tetrahexylammonium bromide
sc-251173A	Tetraethylammonium bromide

Catalog	Name
P19610	Pinacyanol bromide 95%
MBS5823111	Pinacyanol iodide
OR1023824-01	Pinacyanol Chloride
HY-W216621-01	Pinacyanol (iodide)
HY-B1750	Pinacyanol (chloride)
29309654-500g	Hexadecyltrimethylammonium bromide (Cetyltrimethylammonium bromide)
CB0105	Cetyldimethylethyl ammonium bromide (Ethylhexadecyldimethylammonium bromide)
AR-I03852-01	Ipratropium Bromide Impurity 11 Bromide
AR-R11297-01	Rocuronium Bromide Impurity 7 Bromide
AR-U01225-01	Umeclidinium Bromide Impurity 6 Bromide