AG003D8E

4727-50-8 | 1,1-Diethyl-4,4-Carbocyanine Iodide

AG003D8E

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CAS Number	4727-50-8
Catalog Number	AG003D8E(AGN-PC-0RV18B)
Chemical Name	1,1-Diethyl-4,4-Carbocyanine Iodide
EC Number	225-224-8
IUPAC Name	(4E)-1-ethyl-4-[(E)-3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]quinoline;iodide
InChI	InChI=1S/C25H25N2.HI/c1-3-26-18-16-20(22-12-5-7-14-24(22)26)10-9-11-21-17-19-27(4-2)25-15-8-6-13-23(21)25;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1
InChI Key	CEJANLKHJMMNQB-UHFFFAOYSA-M
MDL Number	MFCD00011970
Molecular Formula	C25H25IN2
Molecular Weight	480.3839
SMILES	[I-].CCN1C2=C(C=CC=C2)C(=CC=CC2=C3C(C=CC=C3)=[N+](CC)C=C2)C=C1
Synonyms	1,1'-diethyl-4,4'-carbocyanine, crytocyanine, kryptocyanine, kryptocyanine, ethyl sulfate, Cryptocyanine, 1,1'-Diethyl-4,4'-carbocyanine iodide, Cryptocyanin, Kryptocyanine, 4727-50-8, Cryptocyanine iodide, Kryptocyanin, Kryptocyanine iodide, MFCD00011970, 1,1'-Diethylquino-(4)-carbocyanine iodide, 1,1'-Diethyl-4,4'-quinocarbocyanine iodide, 1,1-DIETHYL-4,4-CARBOCYANINE IODIDE, 1-ethyl-4-[3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]quinoline iodide, (4E)-1-ethyl-4-[(E)-3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]quinoline iodide, 1-ethyl-4-[3-(1-ethylquinolin-4(1H)-ylidene)prop-1-en-1-yl]quinolinium iodide, CHEBI:51502, NSC34391, 1,1'-Diethyl-4,4'-carbocyanine iodide, 96%, C25H25N2.I, 1-Ethyl-4-(3-(1-ethylquinolin-4(1H)-ylidene)prop-1-en-1-yl)quinolin-1-ium iodide, AC1L3RXH, AC1O5EBN, AC1Q1TCE, AC1NS018, 6723AF, AN-19055, C17880, A828423, (4E)-1-ethyl-4-[(E)-3-(1-ethyl-4-quinolin-1-iumyl)prop-2-enylidene]quinoline iodide, (4Z)-1-ethyl-4-[(E)-3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]quinoline iodide, 1,1 inverted exclamation marka-Diethyl-4,4 inverted exclamation marka-carbocyanine iodide, 1-ethyl-4-((1E,3E)-3-(1-ethylquinolin-4(1H)-ylidene)prop-1-enyl)quinolinium iodide, Eastman 1334, Cryptocyanine O. A. 2, NK 5 (Dye), NK 5 (dye) (VAN), NK 5, NK 5 (VAN), CID94298, EINECS 225-224-8, AR-1L2968, c0426, C25-H25-N2.I, NSC 34391, CID5351156, CID5717019, CID6432453, Quinolinium, 1-ethyl-4-[3-(1-ethyl-4(1H)-quinolylidene)propenyl]-, iodide, Quinolinium, 1-ethyl-4-[3-(1-ethyl-4(1H) -quinolinylidene)-1-propenyl]-, iodide, 1-ethyl-4-[3-(1-ethyl-4(1H)-quinolylidene)prop-1-enyl]quinolinium iodide, 51064-65-4, Quinolinium, 1-ethyl-4-(3-(1-ethyl-4(1H)-quinolinylidene)-1-propenyl)-, iodide, Quinolinium, 1-ethyl-4-[3-(1-ethyl-4(1H)-quinolinylidene)-1-propenyl]-, iodide,

Complexity	527
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Exact Mass	480.106g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	480.393g/mol
Monoisotopic Mass	480.106g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	7.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H300-H315-H319-H335
Packing Group	Ⅱ
Precautionary statements	P261-P264-P301+P310-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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