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

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

CAS No:
5426-50-6
Formula:
C10H14N4O2
Chemical Name:
8-ethyl-1,3,7-trimethylpurine-2,6-dione
Synonyms:
5426-50-6;8-ethylcaffeine;NSC14111;8-ethyl-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione;8-ethyl-1,3,7-trimethylpurine-2,6-dione;SCHEMBL515612;8-ethyl-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione;DTXSID40279778;NSC-14111;ZINC15863098

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

Molecular Weight：

222.24 g/mol

Exact Mass：

222.11167570 g/mol

NSC Number：

14111

DSSTox ID：

DTXSID40279778

Characteristics

PSA：

58.4 Å²

Water Solubility：

0.03 M

Computed Properties

Molecular Weight:222.24
XLogP3:0.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:222.11167570
Monoisotopic Mass:222.11167570
Topological Polar Surface Area:58.4
Heavy Atom Count:16
Complexity:333
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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