CAS:2879-16-5 / 8-(hydroxymethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione--Hangzhou Chempro Technology Co., Ltd.

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CAS Number: 2879-16-5
8-(hydroxymethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione

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

General Information

Product Number: 2879165

CAS Registry Number 2879-16-5
Name:
1H-Purine-2,6-dione, 3,9-dihydro-8-(hydroxymethyl)-1,3-dimethyl-
1H-Purine-2,6-dione, 3,7-dihydro-8-(hydroxymethyl)-1,3-dimethyl- (9CI)
Theophylline, 8-(hydroxymethyl)- (6CI,7CI,8CI)
8-(Hydroxymethyl)theophylline
NSC 14362
NSC 36522

Chemical Formula: C8H10N4O3
Exact Mass: 210.08
Molecular Weight: 210.19
m/z: 210.08 (100.0%), 211.08 (8.9%), 211.07 (1.5%), 212.08 (1.1%)

InChI:InChI=1S/C8H10N4O3/c1-11-6-5(9-4(3-13)10-6)7(14)12(2)8(11)15/h13H,3H2,1-2H3,(H,9,10)

InChI Key:GHYKZCOUOKEWNN-UHFFFAOYSA-N

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

Thermal Properties	Value	Note
Melting Point	248 °C	(1)CAS
Melting Point	243-244 °C	(2)CAS
Melting Point	243-244 °C	(3)CAS
Melting Point	240 °C	(4)CAS

Specification

98%

References

(1) Kallischnigg, Rolf; US 2879271 1959 CAPLUS
(2) Goldner, Herbert; GB 982079 1965 CAPLUS
(3) BE 616174 1962 CAPLUS
(4) Goldner, H.; Naturwissenschaften 1964, V51(6), P137 CAPLUS

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