1-(Ethoxycarbonylmethyl)-6-methoxyquinolinium bromide

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1-(Ethoxycarbonylmethyl)-6-methoxyquinolinium bromide

1-(Ethoxycarbonylmethyl)-6-methoxyquinolinium bromide | CAS 162558-52-3

Catalog Number A14-0079
Category Calcium, Chloride and Other indicators
Molecular Formula C14H16BrN3
Molecular Weight 326.19
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Product Introduction

1-(Ethoxycarbonylmethyl)-6-methoxyquinolinium bromidechloride is a fluorescent indicator for measurement of intracellular and extracellular chloride concentrations.

  • Chemical Information

  • Product Specification

  • Application

  • Computed Properties

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Synonyms MQAE; N-(Ethoxycarbonylmethyl)-6-methoxyquinolinium bromide; (6-Methoxyquinolinio)acetic acid ethyl ester bromide
IUPAC Name ethyl 2-(6-methoxyquinolin-1-ium-1-yl)acetate;bromide
Canonical SMILES CCOC(=O)C[N+]1=CC=CC2=C1C=CC(=C2)OC.[Br-]
InChI InChI=1S/C14H16NO3.BrH/c1-3-18-14(16)10-15-8-4-5-11-9-12(17-2)6-7-13(11)15;/h4-9H,3,10H2,1-2H3;1H/q+1;/p-1
InChIKey DSLLHVISNOIYHR-UHFFFAOYSA-M
Appearance Pale Yellow Solid
Signal Warning
GHSHazardStatements H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.)
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 325.03136 g/mol
Monoisotopic Mass 325.03136 g/mol
Topological Polar Surface Area 39.4Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 282
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
PMID Publication Date Title Journal
8736 1976-05-01 The haemolytic effect of phallolysin Naunyn-Schmiedeberg's archives of pharmacology
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