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

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

CAS No:
5426-89-1
Formula:
C15H17N5O2
Chemical Name:
8-[(4-aminophenyl)methyl]-1,3,7-trimethylpurine-2,6-dione
Synonyms:
8-(p-Aminobenzyl)caffeine;CAFFEINE, 8-(p-AMINOBENZYL)-;UNII-TRI71JU8B6;TRI71JU8B6;MLS000737469;5426-89-1;8-[(4-aminophenyl)methyl]-1,3,7-trimethylpurine-2,6-dione;NSC 14398;BRN 0318628;NSC14398;8-Aminobenzylcaffeine;8-(p-Aminobenzyl)-caffeine;4-26-00-04012 (Beilstein Handbook Reference);SCHEMBL6049472;CHEMBL1498782;DTXSID10202619;ZINC1652986;NSC-14398;NCGC00246744-01;SMR000528154;8-(4-Aminobenzyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione #

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

Molecular Weight：

299.33 g/mol

Exact Mass：

299.13822480 g/mol

UNII：

TRI71JU8B6

NSC Number：

14398

DSSTox ID：

DTXSID10202619

Characteristics

PSA：

84.5 Å²

Computed Properties

Molecular Weight:299.33
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:299.13822480
Monoisotopic Mass:299.13822480
Topological Polar Surface Area:84.5
Heavy Atom Count:22
Complexity:463
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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