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Structure

Guarana seed p.e.

CAS
30958-52-2
Catalog Number
ACM30958522
Category
Other Products
Molecular Weight
279.2951
Molecular Formula
C11H15N5O3

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Specification

Synonyms
8-Morpholino-caffeine, Oprea1_085265, Oprea1_306848, CAFFEINE, 8-MORPHOLINO-, MLS000108600, MLS000737994, NSC21709, MolPort-000-271-991, STK089110, CID35697, ZINC00110365, BAS 00930596, LS-48599, SMR000104554, 1,3,7-Trimethyl-8-morpholin-4-yl-3,7-dihydro-purine-2,6-dione, 1,3,7-trimethyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione, 30958-52-2, 5436-38-4
IUPAC Name
1,3,7-trimethyl-8-morpholin-4-ylpurine-2,6-dione
Canonical SMILES
CN1C2=C(N=C1N3CCOCC3)N(C(=O)N(C2=O)C)C
InChI Key
LZQBJEYAJKIENE-UHFFFAOYSA-N
Boiling Point
495.8ºC at 760 mmHg
Flash Point
253.6ºC
Density
1.49g/cm³
Exact Mass
279.13300
H-Bond Acceptor
5
H-Bond Donor
0
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