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8-(3-hydroxypropylamino)-1,3,7-trimethylpurine-2,6-dione

8-(3-hydroxypropylamino)-1,3,7-trimethylpurine-2,6-dione structure

CAS No:
95073-80-6
Formula:
C11H17N5O3
Chemical Name:
8-(3-hydroxypropylamino)-1,3,7-trimethylpurine-2,6-dione
Synonyms:
CAFFEINE, 8-((3-HYDROXYPROPYL)AMINO)-;95073-80-6;G 90a;8-((3-Hydroxypropyl)amino)caffeine;BRN 0294617;8-(gamma-Oxypropyl)-aminocoffein [German];N-gamma-(Caffeino-(8))-aminopropanol-(2);8-(gamma-Oxypropyl)-aminocoffein;8-(3-hydroxypropylamino)-1,3,7-trimethylpurine-2,6-dione;4-26-00-03982 (Beilstein Handbook Reference);G-90a;DTXSID10241745;NSC293949;ZINC13281374;NSC-293949;EU-0005596

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8-(3-hydroxypropylamino)-1,3,7-trimethylpurine-2,6-dione Basic Attributes

Molecular Weight：

267.28 g/mol

Exact Mass：

267.13313942 g/mol

NSC Number：

293949

DSSTox ID：

DTXSID10241745

Characteristics

PSA：

90.7 Å²

Computed Properties

Molecular Weight:267.28
XLogP3:0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:267.13313942
Monoisotopic Mass:267.13313942
Topological Polar Surface Area:90.7
Heavy Atom Count:19
Complexity:377
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8-(3-hydroxypropylamino)-1,3,7-trimethylpurine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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