CAS:5426-47-1 / 8-(dimethylamino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione--Hangzhou Chempro Technology Co., Ltd.

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CAS Number: 5426-47-1
8-(dimethylamino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione

Structure
Name: 8-(dimethylamino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Synonyms:

General Information

Product Number: 5426471

CAS Registry Number 5426-47-1
Name:
1H-Purine-2,6-dione, 8-(dimethylamino)-3,9-dihydro-1,3-dimethyl-
1H-Purine-2,6-dione, 8-(dimethylamino)-3,7-dihydro-1,3-dimethyl- (9CI)
Theophylline, 8-(dimethylamino)- (8CI)
8-(Dimethylamino)-1,3-dimethylxanthine
8-(Dimethylamino)theophylline
NSC 14107

Chemical Formula: C9H13N5O2
Exact Mass: 223.11
Molecular Weight: 223.23
m/z: 223.11 (100.0%), 224.11 (10.0%), 224.10 (1.8%), 225.11 (1.0%)

InChI:InChI=1S/C9H13N5O2/c1-12(2)8-10-5-6(11-8)13(3)9(16)14(4)7(5)15/h1-4H3,(H,10,11)

InChI Key:QOFFIYLUCIEBBX-UHFFFAOYSA-N

Canonical SMILES:CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N(C)C

Thermal Properties	Value	Condition	Note
Melting Point	337-338 °C		(1)CAS

Specification

98%

References

(1) Taylor, Edward C.; Journal of the American Chemical Society 1968, V90(5), P1374-5 CAPLUS

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