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8-(benzylamino)-1,3,7-trimethylpurine-2,6-dione

8-(benzylamino)-1,3,7-trimethylpurine-2,6-dione structure

CAS No:
130187-58-5
Formula:
C15H17N5O2
Chemical Name:
8-(benzylamino)-1,3,7-trimethylpurine-2,6-dione
Synonyms:
8-(benzylamino)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione; 8-Benzylamino-1,3,7-trimethyl-3,7-dihydro-purin-2,6-dion; 1H-Purine-2,6-dione,3,7-dihydro-8-((phenylmethyl)amino)-1,3,7-trimethyl; 8-N-Benzylaminocaffeine; 8-(Benzylamino)Caffeine; 8-benzylamino-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione; 3,7-Dihydro-8-((phenylmethyl)amino)-1,3,7-trimethyl-1H-purine-2,6-dione;Expand

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8-(benzylamino)-1,3,7-trimethylpurine-2,6-dione Basic Attributes

Molecular Weight：

299.32800

Exact Mass：

299.13822480 g/mol

DSSTox ID：

DTXSID00156394

Characteristics

PSA：

77.08000

XLogP3：

0.00470

Density：

1.34g/cm3

Boiling Point：

522.3ºC

Flash Point：

269.7ºC

Refractive Index：

1.671

Vapor Pressure：

5.24E-11mmHg at 25°C

Computed Properties

Molecular Weight:299.33
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:299.13822480
Monoisotopic Mass:299.13822480
Topological Polar Surface Area:70.5
Heavy Atom Count:22
Complexity:451
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8-(benzylamino)-1,3,7-trimethylpurine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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