8-[(4-Aminophenyl)methyl]-1,3,7-trimethylpurine-2,6-dione

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Catalog Number
ACM5426891
Product Name
8-[(4-Aminophenyl)methyl]-1,3,7-trimethylpurine-2,6-dione
CAS
5426-89-1
Category
Heterocyclic Organic Compound
Synonyms
8-(p-Aminobenzyl)caffeine, MLS000737469, CAFFEINE, 8-(p-AMINOBENZYL)-, NSC14398, NSC 14398, CID21552, BRN 0318628, ZINC01652986, LS-48565, SMR000528154, 4-26-00-04012 (Beilstein Handbook Reference), 5426-89-1
IUPAC Name
8-[(4-aminophenyl)methyl]-1,3,7-trimethylpurine-2,6-dione
Molecular Weight
299.328 g/mol
Molecular Formula
C15H17N5O2
Canonical SMILES
CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC=C(C=C3)N
InChI Key
OSKJFYYILYDPAQ-UHFFFAOYSA-N
Boiling Point
577.4ºC at 760 mmHg
Flash Point
303ºC
Density
1.39g/cm³
Exact Mass
299.13800
H-Bond Acceptor
4
H-Bond Donor
1
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