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7-(2,3-Dihydroxypropyl)-1,3-Dimethyl-3,7-Dihydro-1H-Purine-2,6-Dione
[CAS# 30913-64-5]

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Identification
Name 7-(2,3-Dihydroxypropyl)-1,3-Dimethyl-3,7-Dihydro-1H-Purine-2,6-Dione
Synonyms (±)-7-(2,3-Dihydroxypropyl)theophylline; (±)-diprophylline
Molecular Structure CAS#: 30913-64-5, 7-(2,3-Dihydroxypropyl)-1,3-Dimethyl-3,7-Dihydro-1H-Purine-2,6-Dione
Molecular Formula C10H14N4O4
Molecular Weight 254.24
CAS Registry Number 30913-64-5
SMILES CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O
InChI 1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3
InChIKey KSCFJBIXMNOVSH-UHFFFAOYSA-N
Properties
Density 1.6±0.1g/cm3 (Cal.)
Boiling point 589.6±60.0°C at 760 mmHg (Cal.)
Flash point 310.4±32.9°C (Cal.)
References
(1) Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493
Market Analysis Reports
List of Reports Available for 7-(2,3-Dihydroxypropyl)-1,3-Dimethyl-3,7-Dihydro-1H-Purine-2,6-Dione
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