2-hydroxybenzoic acid,1,3,7-trimethylpurine-2,6-dione

Modify Date: 2025-08-24 20:21:40

2-hydroxybenzoic acid,1,3,7-trimethylpurine-2,6-dione Structure
2-hydroxybenzoic acid,1,3,7-trimethylpurine-2,6-dione structure
Common Name 2-hydroxybenzoic acid,1,3,7-trimethylpurine-2,6-dione
CAS Number 5743-22-6 Molecular Weight 332.31100
Density N/A Boiling Point 416.8ºC at 760mmHg
Molecular Formula C15H16N4O5 Melting Point N/A
MSDS N/A Flash Point 205.9ºC

 Names

Name 2-hydroxybenzoic acid,1,3,7-trimethylpurine-2,6-dione
Synonym More Synonyms

 Chemical & Physical Properties

Boiling Point 416.8ºC at 760mmHg
Molecular Formula C15H16N4O5
Molecular Weight 332.31100
Flash Point 205.9ºC
Exact Mass 332.11200
PSA 119.35000
LogP 0.06110
InChIKey SVXXBCDDJXZXOZ-UHFFFAOYSA-N
SMILES Cn1c(=O)c2c(ncn2C)n(C)c1=O.O=C(O)c1ccccc1O

 Synthetic Route

~%

2-hydroxybenzoic acid,1,3,7-trimethylpurine-2,6-dione Structure

2-hydroxybenzoi...

CAS#:5743-22-6

Literature: Goyal, Sachit; Thorson, Michael R.; Zhang, Geoff G. Z.; Gong, Yuchuan; Kenis, Paul J. A. Crystal Growth and Design, 2012 , vol. 12, # 12 p. 6023 - 6034

 Precursor & DownStream

Precursor  2

DownStream  0

 Synonyms

1,3,7-Trimethyl-3,7-dihydro-purin-2,6-dion
Caffeine salicylate
EINECS 227-259-4
Kaffein,Salicylat
1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione,caffeine,salicylate
Salicylic acid,compd. with caffeine (1:1)
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