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

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

CAS No:
95982-26-6
Formula:
C12H19N5O3
Chemical Name:
8-(3-methoxypropylamino)-1,3,7-trimethylpurine-2,6-dione
Synonyms:
CAFFEINE, 8-((3-METHOXYPROPYL)AMINO)-;95982-26-6;8-[(3-methoxypropyl)amino]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione;8-((3-Methoxypropyl)amino)caffeine;BRN 1086127;8-(gamma-Methoxypropyl)-aminocoffein [German];8-(gamma-Methoxypropyl)-aminocoffein;8-(3-methoxypropylamino)-1,3,7-trimethylpurine-2,6-dione;DTXSID70242056;CCG-22657;ZINC17172964;MCULE-8333260193;EU-0014431;G-100;AO-343/41780992

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

Molecular Weight：

281.31 g/mol

Exact Mass：

281.14878949 g/mol

DSSTox ID：

DTXSID70242056

Characteristics

PSA：

79.7 Å²

Computed Properties

Molecular Weight:281.31
XLogP3:0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:281.14878949
Monoisotopic Mass:281.14878949
Topological Polar Surface Area:79.7
Heavy Atom Count:20
Complexity:391
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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