diethyl-[2-[4-[(E)-[(1,3,7-trimethyl-2,6-dioxo-4,5-dihydropurin-8-yl)hydrazinylidene]methyl]phenoxy]ethyl]azanium,chloride
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![diethyl-[2-[4-[(E)-[(1,3,7-trimethyl-2,6-dioxo-4,5-dihydropurin-8-yl)hydrazinylidene]methyl]phenoxy]ethyl]azanium,chloride structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/255b1d44f8614f6ea7bbc859d24c1020.png "diethyl-[2-[4-[(E)-[(1,3,7-trimethyl-2,6-dioxo-4,5-dihydropurin-8-yl)hydrazinylidene]methyl]phenoxy]ethyl]azanium,chloride")
diethyl-[2-[4-[(E)-[(1,3,7-trimethyl-2,6-dioxo-4,5-dihydropurin-8-yl)hydrazinylidene]methyl]phenoxy]ethyl]azanium,chloride
structure -
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CAS No:
73664-53-6
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Formula:
C21H32ClN7O3
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Chemical Name:
diethyl-[2-[4-[(E)-[(1,3,7-trimethyl-2,6-dioxo-4,5-dihydropurin-8-yl)hydrazinylidene]methyl]phenoxy]ethyl]azanium,chloride
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Synonyms:
8-(2-(p-(2-(Diethylamino)ethoxy)benzylidene)hydrazino)caffeine hydrochloride; Caffeine,8-(2-(p-(2-(diethylamino)ethoxy)benzylidene)hydrazino)-,hydrochloride; Benzaldehyde,p-(2-(diethylamino)ethoxy)-,(1,3,7-trimethyl-8-xanthinyl)hydrazonehydrochloride; p-(2-(Diethylamino)ethoxy)benzaldehyde (1,3,7-trimethyl-8-xanthinyl)hydrazone hydrochloride;
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CAS No:
diethyl-[2-[4-[(E)-[(1,3,7-trimethyl-2,6-dioxo-4,5-dihydropurin-8-yl)hydrazinylidene]methyl]phenoxy]ethyl]azanium,chloride Basic Attributes
465.97700
465.2255156
Computed Properties
Molecular Weight:466.0
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:465.2255156
Monoisotopic Mass:465.2255156
Topological Polar Surface Area:94.3
Heavy Atom Count:32
Complexity:701
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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