Quinaldine Red

CAT: 0024-sc-215771CSize: 250 gDry Ice: NoHazardous: No

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CAT#:0024-sc-215771CSize:250 g

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CAS Number

117-92-0

Chemical Information

Quinaldine Red

amphiphilic in cationic form; RN given refers to iodide; structure

CAS Number	117-92-0
PubChem CID	5702759
IUPAC Name	4-[(E)-2-(1-ethylquinolin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline iodide
Molecular Formula	C21H23IN2
Molecular Weight	430.3
Topological Polar Surface Area	7.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	381

SMILES

CC[N+]1=C(C=CC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)N(C)C.[I-]

InChI

InChI=1S/C21H23N2.HI/c1-4-23-20(16-12-18-7-5-6-8-21(18)23)15-11-17-9-13-19(14-10-17)22(2)3;/h5-16H,4H2,1-3H3;1H/q+1;/p-1

InChIKey

JOLANDVPGMEGLK-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 117-92-0

CID: 5702759

Formula: C21H23IN2

MW: 430.3

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	430.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	430.09060
Monoisotopic Mass	430.09060
Topological Polar Surface Area	7.1 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	381
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
BUP22111	Quinaldine
HY-D0267	Quinaldine red
464231	Quinaldine blue
Q0050	Quinaldine Yellow
117010 100-01	Quinaldine For Synthesis
Q00180	Quinaldine Ethyl Iodide
Q00190-01	Quinaldine methyl iodide
117030 5	Quinaldine Red Indicator
V0253 00100	Quinaldine Red Indicator Solution