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7-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione

7-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione structure

CAS No:
5096-27-5
Formula:
C16H23N5O3
Chemical Name:
7-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
Synonyms:
7-(3-(Diallylamino)-2-hydroxypropyl)theophylline;5096-27-5;BRN 0572671;Theophylline, 7-(3-(diallylamino)-2-hydroxypropyl)-;Maybridge4_002068;1H-Purine-2,6-dione, 7-(3-(di-2-propenylamino)-2-hydroxypropyl)-3,7-dihydro-1,3-dimethyl-;Oprea1_503089;DTXSID20965223;HMS1526N22;7-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione;CCG-253818;MCULE-6980749301;NCGC00176955-01;BRD-A19555211-001-01-2;7-{3-[Di(prop-2-en-1-yl)amino]-2-hydroxypropyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

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7-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Basic Attributes

Molecular Weight：

333.39 g/mol

Exact Mass：

333.18008961 g/mol

Characteristics

PSA：

81.9 Å²

Computed Properties

Molecular Weight:333.39
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:333.18008961
Monoisotopic Mass:333.18008961
Topological Polar Surface Area:81.9
Heavy Atom Count:24
Complexity:502
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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