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8-Ethoxy-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione

8-Ethoxy-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione structure

CAS No:
577-66-2
Formula:
C10H14N4O3
Chemical Name:
8-Ethoxy-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
Synonyms:
1H-Purine-2,6-dione,8-ethoxy-3,7-dihydro-1,3,7-trimethyl-;Caffeine,8-ethoxy-;8-Ethoxy-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione;EOC;8-Ethoxycaffeine;1,3,7-Trimethyl-2,6-dioxo-8-ethoxypurine;NSC 8812

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8-Ethoxy-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione Basic Attributes

Molecular Weight：

238.24

Exact Mass：

238.24

UNII：

271190XI98

NSC Number：

8812

DSSTox ID：

DTXSID20206406

Characteristics

PSA：

67.7

XLogP3：

0.6

Density：

1.2560 (rough estimate)

Melting Point：

137 °C

Boiling Point：

380.84°C (rough estimate)

Flash Point：

197.2ºC

Refractive Index：

1.628

Water Solubility：

2.991g/L(19 ºC)

Toxicity：

LD50 intravenous in mouse: 56mg/kg

Drug Information

MeSH Entry Terms：

8-ethoxycaffeine

Computed Properties

Molecular Weight:238.24
XLogP3:0.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:238.10659032
Monoisotopic Mass:238.10659032
Topological Polar Surface Area:67.7
Heavy Atom Count:17
Complexity:348
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8-Ethoxy-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione

Basic Attributes
Characteristics
Drug Information
Computed Properties

8-Ethoxy-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione

SDS

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