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CAS Number: 31542-63-9
7-methyl-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione

Structure

7-methyl-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione
Name: 7-methyl-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione
Synonyms:
General Information
Product Number: 31542639

CAS Registry Number 31542-63-9
Name:
1H-?Purine-?2,?6-?dione, 3,?7-?dihydro-?7-?methyl-?1,?3-?dipropyl-
Heteroxanthine, 1,3-dipropyl- (8CI)
3,7-Dihydro-7-methyl-1,3-dipropyl-1H-purine-2,6-dione
1,3-Dipropyl-7-methylxanthine
1,3-Dipropylheteroxanthine
7-Methyl-1,3-dipropylxanthine

 

Chemical Formula: C12H18N4O2
Exact Mass: 250.14
Molecular Weight: 250.30
m/z: 250.14 (100.0%), 251.15 (13.3%), 251.14 (1.5%), 252.15 (1.2%)

 

InChI:InChI=1S/C12H18N4O2/c1-4-6-15-10-9(14(3)8-13-10)11(17)16(7-5-2)12(15)18/h8H,4-7H2,1-3H3

InChI Key:QVAYTZAGDQIWMB-UHFFFAOYSA-N

Canonical SMILES:CCCN1C2=C(C(=O)N(C1=O)CCC)N(C=N2)C

 

Thermal Properties Value Condition Note
Melting Point 114-116 °C   (1)CAS

Specification

98%

References
  1. (1) Liu, Gang; Synthetic Communications 2010, V40(10), P1418-1436 CAPLUS
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