Structure

1,3-Dimethyl-8-prop-2-enyl-7H-purine-2,6-dione

CAS
74039-62-6
Catalog Number
ACM74039626
Category
Other Products
Molecular Weight
220.228 g/mol
Molecular Formula
C10H12N4O2

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Specification

Synonyms
8-Allyltheophylline, Theophylline, 8-allyl-, NSC14300, NSC 14300, CID95031, BRN 0212088, LS-149398, 4-26-00-02498 (Beilstein Handbook Reference), 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(2-propenyl)-, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(2-propenyl)- (9CI), 74039-62-6
IUPAC Name
1,3-dimethyl-8-prop-2-enyl-7H-purine-2,6-dione
SMILES
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CC=C
InChI Key
SUFDPQNULQXJTM-UHFFFAOYSA-N
Boiling Point
466.6ºC at 760 mmHg
Flash Point
236ºC
Density
1.316g/cm³
Exact Mass
220.09600
H-Bond Acceptor
3
H-Bond Donor
1

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