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7-[5-[[2-(3,4-Dihydroxyphenyl)-1-methylethyl]amino]pentyl]theophyline

7-[5-[[2-(3,4-Dihydroxyphenyl)-1-methylethyl]amino]pentyl]theophyline structure

CAS No:
62401-71-2
Formula:
C21H29N5O4
Chemical Name:
7-[5-[[2-(3,4-Dihydroxyphenyl)-1-methylethyl]amino]pentyl]theophyline
Synonyms:
7-(5-((3-(3,4-Dihydroxyphenyl)-2-propyl)amino)pentyl)theophylline;D 973;BRN 1232220;Theophylline, 7-(5-((3-(3,4-dihydroxyphenyl)-2-propyl)amino)pentyl)-;5-26-14-00036 (Beilstein Handbook Reference);CTK5B5026;DTXSID80977968;7-[5-[[2-(3,4-Dihydroxyphenyl)-1-methylethyl]amino]pentyl]theophyline;7-(5-{[1-(3,4-Dihydroxyphenyl)propan-2-yl]amino}pentyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

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7-[5-[[2-(3,4-Dihydroxyphenyl)-1-methylethyl]amino]pentyl]theophyline Basic Attributes

Molecular Weight：

415.491

Exact Mass：

415.222

Characteristics

PSA：

111

XLogP3：

1.8

Computed Properties

Molecular Weight:415.5
XLogP3:1.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:415.22195442
Monoisotopic Mass:415.22195442
Topological Polar Surface Area:111
Heavy Atom Count:30
Complexity:606
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-[5-[[2-(3,4-Dihydroxyphenyl)-1-methylethyl]amino]pentyl]theophyline

Basic Attributes
Characteristics
Computed Properties

7-[5-[[2-(3,4-Dihydroxyphenyl)-1-methylethyl]amino]pentyl]theophyline

SDS

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