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3,7-Dihydro-8-methoxy-1,3,7-trimethyl-1H-purine-2,6-dione

3,7-Dihydro-8-methoxy-1,3,7-trimethyl-1H-purine-2,6-dione structure

CAS No:
569-34-6
Formula:
C9H12N4O3
Chemical Name:
3,7-Dihydro-8-methoxy-1,3,7-trimethyl-1H-purine-2,6-dione
Synonyms:
1H-Purine-2,6-dione,3,7-dihydro-8-methoxy-1,3,7-trimethyl-;Caffeine,8-methoxy-;3,7-Dihydro-8-methoxy-1,3,7-trimethyl-1H-purine-2,6-dione;8-Methoxycaffeine;Methoxycaffeine;NSC 8808;3,7-Dihydro-8-methoxy-1,3,7-trimethyl-1H-purin-2,6-dion

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3,7-Dihydro-8-methoxy-1,3,7-trimethyl-1H-purine-2,6-dione Basic Attributes

Molecular Weight：

Exact Mass：

224.22

EC Number：

209-312-3

UNII：

3UR74I2980

NSC Number：

8808

DSSTox ID：

DTXSID20205434

HScode：

2933990090

Characteristics

PSA：

71.05000

XLogP3：

-1.02070

Density：

1.3990

Melting Point：

176 °C

Boiling Point：

365.61°C (rough estimate)

Flash Point：

192.8ºC

Refractive Index：

1.6300 (estimate)

Water Solubility：

25mg/L(room temperature)

Drug Information

MeSH Entry Terms：

8-methoxycaffeine

Computed Properties

Molecular Weight:224.22
XLogP3:0.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:224.09094026
Monoisotopic Mass:224.09094026
Topological Polar Surface Area:67.7
Heavy Atom Count:16
Complexity:335
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: methyl t-butyl ether; natriumtripolyphosphat; diphosphorus pentoxide formula; magnesium nitride formula; sulfur trioxide formula; sulfur trioxide compound

Guide of 3,7-Dihydro-8-methoxy-1,3,7-trimethyl-1H-purine-2,6-dione

Basic Attributes
Characteristics
Drug Information
Computed Properties

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