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1,3-dimethyl-8-(2-phenylethyl)-7H-purine-2,6-dione

1,3-dimethyl-8-(2-phenylethyl)-7H-purine-2,6-dione structure

CAS No:
126235-09-4
Formula:
C15H16N4O2
Chemical Name:
1,3-dimethyl-8-(2-phenylethyl)-7H-purine-2,6-dione
Synonyms:
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(2-phenylethyl)-;126235-09-4;NSC14319;ACMC-20mrwg;Theophylline, 8-phenethyl-;Oprea1_738470;NIOSH/UO8445900;SCHEMBL14027414;DTXSID90279849;ZINC8581170;NSC-14319;UO84459000;1,3-dimethyl-8-phenethyl-1H-purine-2,6(3H,7H)-dione;1,3-DIMETHYL-8-(2-PHENYLETHYL)-7H-PURINE-2,6-DIONE;2,3,6,7-Tetrahydro-1,3-dimethyl-8-(2-phenylethyl)-1H-purine-2,6-dione;1H-Purine-2,6-dione, 2,3,6,7-tetrahydro-1,3-dimethyl-8-(2-phenylethyl)-

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1,3-dimethyl-8-(2-phenylethyl)-7H-purine-2,6-dione Basic Attributes

Molecular Weight：

284.31 g/mol

Exact Mass：

284.12732577 g/mol

NSC Number：

14319

DSSTox ID：

DTXSID90279849

Characteristics

PSA：

69.3 Å²

Computed Properties

Molecular Weight:284.31
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:284.12732577
Monoisotopic Mass:284.12732577
Topological Polar Surface Area:69.3
Heavy Atom Count:21
Complexity:422
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3-dimethyl-8-(2-phenylethyl)-7H-purine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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