8-(3-Hydroxypropylamino)-1,3,7-trimethylpurine-2,6-dione

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Catalog Number
ACM95073806
Product Name
8-(3-Hydroxypropylamino)-1,3,7-trimethylpurine-2,6-dione
CAS
95073-80-6
Category
Heterocyclic Organic Compound
Synonyms
G 90a, 8-((3-Hydroxypropyl)amino)caffeine, 8-(gamma-Oxypropyl)-aminocoffein, CID56858, BRN 0294617, NSC293949, 8-(gamma-Oxypropyl)-aminocoffein [German], N-gamma-(Caffeino-(8))-aminopropanol-(2), LS-48589, CAFFEINE, 8-((3-HYDROXYPROPYL)AMINO)-, EU-0005596, 4-26-00-03982 (Beilstein Handbook Reference), 95073-80-6
IUPAC Name
8-(3-hydroxypropylamino)-1,3,7-trimethylpurine-2,6-dione
Molecular Weight
267.284 g/mol
Molecular Formula
C11H17N5O3
Canonical SMILES
CN1C2=C(N=C1NCCCO)N(C(=O)N(C2=O)C)C
InChI Key
WYIRAEXIRSTMPM-UHFFFAOYSA-N
Boiling Point
505.7ºC at 760mmHg
Flash Point
259.7ºC
Density
1.45g/cm³
Exact Mass
267.13300
H-Bond Acceptor
5
H-Bond Donor
2
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