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8-benzyl-1,3,7-trimethylpurine-2,6-dione

8-benzyl-1,3,7-trimethylpurine-2,6-dione structure

CAS No:
5426-88-0
Formula:
C15H16N4O2
Chemical Name:
8-benzyl-1,3,7-trimethylpurine-2,6-dione
Synonyms:
8-Benzyl-3,7-dihydro-1,3,7-trimethyl-1H-purin-2,6-dion; 8-benzyl-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione; 8-Benzyl-caffeine; CAFFEINE,8-BENZYL; 8-Benzyl-1,3,7-trimethyl-3,7-dihydro-purin-2,6-dion;

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Description

1,3,7-trimethyl-8-(phenylmethyl)purine-2,6-dione is an oxopurine.

8-benzyl-1,3,7-trimethylpurine-2,6-dione Basic Attributes

Molecular Weight：

284.31300

Exact Mass：

284.12732577 g/mol

UNII：

H0O8QGM8ZC

NSC Number：

14396

DSSTox ID：

DTXSID50202618

HScode：

2933990090

Characteristics

PSA：

61.82000

XLogP3：

0.56150

Density：

1.3g/cm3

Boiling Point：

516.1ºC

Flash Point：

265.9ºC

Refractive Index：

1.657

Computed Properties

Molecular Weight:284.31
XLogP3:1.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:284.12732577
Monoisotopic Mass:284.12732577
Topological Polar Surface Area:58.4
Heavy Atom Count:21
Complexity:435
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8-benzyl-1,3,7-trimethylpurine-2,6-dione

Description
Basic Attributes
Characteristics
Computed Properties

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