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3,7-dimethyl-1-(2-methylprop-2-enyl)purine-2,6-dione

3,7-dimethyl-1-(2-methylprop-2-enyl)purine-2,6-dione structure

CAS No:
63906-62-7
Formula:
C11H14N4O2
Chemical Name:
3,7-dimethyl-1-(2-methylprop-2-enyl)purine-2,6-dione
Synonyms:
Theobromine, 1-(2'-methylallyl)-;63906-62-7;NSC74796;UNII-XH3YQG3UJ1;XH3YQG3UJ1;1-Methallyl theobromine;NSC 74796;3,7-Dimethyl-1-(2-methyl-2-propenyl)-3,7-dihydro-1H-purine-2,6-dione;1-methallyltheobromine;NCIOpen2_003898;DTXSID60213578;NSC-74796;ZINC13284608;1-(2'-METHYLALLYL)THEOBROMINE;3,7-dimethyl-1-(2-methylallyl)purine-2,6-dione;3,7-Dimethyl-1-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione;1H-Purine-2, 3,7-dihydro-3,7-dimethyl-1-(2-methyl-2-propenyl)-;1H-Purine-2,6-dione, 3,7-dihydro-3, 7-dimethyl-1-(2-methyl-2-propenyl)-;3,7-Dihydro-3,7-dimethyl-1-(2-methyl-2-propen-1-yl)-1H-purine-2,6-dione

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3,7-dimethyl-1-(2-methylprop-2-enyl)purine-2,6-dione Basic Attributes

Molecular Weight：

234.25 g/mol

Exact Mass：

234.11167570 g/mol

UNII：

XH3YQG3UJ1

NSC Number：

74796

DSSTox ID：

DTXSID60213578

Characteristics

PSA：

58.4 Å²

Computed Properties

Molecular Weight:234.25
XLogP3:1.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:234.11167570
Monoisotopic Mass:234.11167570
Topological Polar Surface Area:58.4
Heavy Atom Count:17
Complexity:382
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: sodium bicarbonate sds; acetic acid chemical formula; retratutide; bromhexine; boric acud; jxl-069

Guide of 3,7-dimethyl-1-(2-methylprop-2-enyl)purine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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