8-[Bis(phenylmethyl)amino]-1,3,7-trimethylpurine-2,6-dione

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Catalog Number
ACM130216534
Product Name
8-[Bis(phenylmethyl)amino]-1,3,7-trimethylpurine-2,6-dione
CAS
130216-53-4
Category
Heterocyclic Organic Compound
Synonyms
8-N,N-Dibenzylaminocaffeine, BRN 0358935, CID64138, LS-126578, 0-26-00-00590 (Beilstein Handbook Reference), 3,7-Dihydro-8-(bis(phenylmethyl)amino)-1,3,7-trimethyl-1H-purine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-8-(bis(phenylmethyl)amino)-1,3,7-trimethyl-, 130216-53-4
IUPAC Name
8-(dibenzylamino)-1,3,7-trimethylpurine-2,6-dione
Molecular Weight
389.45 g/mol
Molecular Formula
C22H23N5O2
Canonical SMILES
CN1C2=C(N=C1N(CC3=CC=CC=C3)CC4=CC=CC=C4)N(C(=O)N(C2=O)C)C
InChI Key
RELWZSIMCNXVCC-UHFFFAOYSA-N
Boiling Point
608.2ºC at 760mmHg
Flash Point
321.6ºC
Density
1.24g/cm³
Exact Mass
389.18500
H-Bond Acceptor
4
H-Bond Donor
0
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