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1,3,7-Trimethyl-8-(phenylmethylamino)purine-2,6-dione

CAS
130187-58-5
Catalog Number
ACM130187585
Category
Other Products
Molecular Weight
299.328 g/mol
Molecular Formula
C15H17N5O2

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Specification

Synonyms
8-N-Benzylaminocaffeine, CBMicro_047021, ChemDiv2_004144, Oprea1_492508, Oprea1_853689, MLS000110244, STOCK2S-36440, BRN 0385265, MolPort-001-496-127, HMS1380M08, CID64137, STK068759, ZINC00114046, IDI1_002859, BAS 01228979, SMR000106174, BIM-0046885.P001, LS-127056, 0-26-00-00531 (Beilstein Handbook Reference), 1H-Purine-2,6-dione, 3,7-dihydro-8-((phenylmethyl)amino)-1,3,7-trimethyl-
IUPAC Name
8-(benzylamino)-1,3,7-trimethylpurine-2,6-dione
Canonical SMILES
CN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C
InChI Key
LBVXMQUYMRVXIJ-UHFFFAOYSA-N
Boiling Point
522.3ºC at 760mmHg
Flash Point
269.7ºC
Density
1.34g/cm³
Exact Mass
299.13800
H-Bond Acceptor
4
H-Bond Donor
1
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