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4-(4-Diethylaminostyryl)-1-methylpyridinium iodide | CAS 105802-46-8

Catalog Number	A16-0071
Category	Mitochondrial Fluorescent Probes
Molecular Formula	C18H23IN2
Molecular Weight	394.29

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Product Introduction

4-Di-2-ASP is a cationic styryl mitochondrial probe with a large Stokes shift.

Synonyms	4-Di-2-ASP;N,N-diethyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;iodide
IUPAC Name	N,N-diethyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;iodide
Canonical SMILES	CCN(CC)C1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)C.[I-]
InChI	InChI=1S/C18H23N2.HI/c1-4-20(5-2)18-10-8-16(9-11-18)6-7-17-12-14-19(3)15-13-17;/h6-15H,4-5H2,1-3H3;1H/q+1;/p-1
InChIKey	WIPKWLIHFGTFQV-UHFFFAOYSA-M
Appearance	Dark to very dark red solid
LogP	0.53170

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	2
Rotatable Bond Count	5
Exact Mass	394.09060 g/mol
Monoisotopic Mass	394.09060 g/mol
Topological Polar Surface Area	7.1Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	280
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

Publication Number	Title	Priority Date
JP-2021032856-A	Composition for radiation dose measurement, its manufacturing method, and radiation dosimeter	2019-08-29
WO-2019069853-A1	RADIATION DOSIMETRY SOL OR GEL AND RADIATION DOSIMETER WITH SUCH FLOOR OR GEL AS RADIATION DOSIMETRY MATERIAL	2017-10-02
EP-3686632-A1	Radiation dosimetry sol or gel and radiation dosimeter comprising same as material for radiation dosimetry	2017-10-02
US-2020333474-A1	Radiation dosimetry sol or gel and radiation dosimeter comprising same as material for radiation dosimetry	2017-10-02
JP-WO2019069853-A1	Radiation dosimetry A sol or gel and a radiation dosimeter equipped with it as a radiation dose measurement material	2017-10-02

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