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Structure

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

CAS
5426-72-2
Catalog Number
ACM5426722
Category
Other Products
Molecular Weight
309.364 g/mol
Molecular Formula
C14H23N5O3

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Specification

Synonyms
8-(beta-Diethylaminoethoxy)caffeine, NSC14317, NSC 14317, CID21550, BRN 0318614, 8-(.beta.-Diethylaminoethoxy)caffeine, Caffeine, 8-[2-(diethylamino)ethoxy)-, Caffeine, 8-[2-(diethylamino)ethoxy]-, LS-48575, CAFFEINE, 8-(2-(DIETHYLAMINO)ETHOXY)-, 4-26-00-02729 (Beilstein Handbook Reference), 5426-72-2
IUPAC Name
8-(2-diethylaminoethyloxy)-1,3,7-trimethylpurine-2,6-dione
Canonical SMILES
CCN(CC)CCOC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C
InChI Key
CJFBPYHVVXKJQQ-UHFFFAOYSA-N
Boiling Point
457.7ºC at 760 mmHg
Flash Point
230.6ºC
Density
1.25g/cm³
Exact Mass
309.18000
H-Bond Acceptor
5
H-Bond Donor
0
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