5,5'-DICYANO-3-(4-SULFOBUTYL)-1,1',3'-TRIETHYLIMIDACARBOCYANINEBETAINE
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5,5'-DICYANO-3-(4-SULFOBUTYL)-1,1',3'-TRIETHYLIMIDACARBOCYANINEBETAINE
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CAS No:
32634-36-9
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Formula:
C29H32N6O3S
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Chemical Name:
5,5'-DICYANO-3-(4-SULFOBUTYL)-1,1',3'-TRIETHYLIMIDACARBOCYANINEBETAINE
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Synonyms:
GREEN SENSITIZER GR 829;5,5'-DICYANO-3-(4-SULFOBUTYL)-1,1',3'-TRIETHYLIMIDACARBOCYANINE BETAINE;5-CYANO-2-[3-(5-CYANO-1,3-DIETHYL-1,3-DIHYDRO-2H-BENZIMIDAZOL-2-YLIDENE)-1-PROPENYL]-1-ETHYL-3-(4-SULFOBUTYL)-1H-BENZIMIDAZOLIUM HYDROXIDE, INNER SALT;cyanocyanodi-et-di-H-benzimidazolylidene-propenyl;CYANOCYANODI-ET-DI-H-BENZIMIDAZOLYLIDENE -PROPENYL-ET-SO3H-BU-BENZIMIDAZOLIUM OH;5-cyano-2-[3-(5-cyano-1,3-diethyl-1,3-dihydro-2h-benzimidazol-2-ylidene)-1-propenyl]-1-ethyl-3-(4-sulfobutyl)-1h-benzimidazolium hydroxide inner salt;5-cyano-2-[3-(5-cyano-1,3-diethyl-1,3-dihydro-2H-benzimida
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CAS No:
5,5'-DICYANO-3-(4-SULFOBUTYL)-1,1',3'-TRIETHYLIMIDACARBOCYANINEBETAINE Basic Attributes
544.67
544.22566008
Safety Information
3
36/37/38
26-36
Xi
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:544.7
XLogP3:4.2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:544.22566008
Monoisotopic Mass:544.22566008
Topological Polar Surface Area:128
Heavy Atom Count:39
Complexity:1100
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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