CAS
24848-20-2 Purity
96%
24848-20-2 Purity
96%
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Diethyl-[2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylethyl]azaniumchloride
CAS
24851-38-5
Catalog Number
ACM24851385
Category
Other Products
Molecular Weight
361.891 g/mol
Molecular Formula
C14H24ClN5O2S
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Specification
Synonyms
CID32715, LS-48576, 8-((2-(Diethylamino)ethyl)thio)caffeine hydrochloride, CAFFEINE, 8-((2-(DIETHYLAMINO)ETHYL)THIO)-, HYDROCHLORIDE, 24851-38-5
IUPAC Name
diethyl-[2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylethyl]azanium chloride
Canonical SMILES
CC[NH+](CC)CCSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C.[Cl-]
InChI Key
SGGGWDPUZQBKOH-UHFFFAOYSA-N
Boiling Point
488.8ºC at 760 mmHg
Flash Point
249.4ºC
Exact Mass
361.13400
H-Bond Acceptor
4
H-Bond Donor
1
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