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8-BROMO-7-ETHYL-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE

8-BROMO-7-ETHYL-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE structure

CAS No:
17801-69-3
Formula:
C9H11BrN4O2
Chemical Name:
8-BROMO-7-ETHYL-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
Synonyms:
8-bromo-7-ethyl-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione;1H-Purine-2,6-dione,8-bromo-7-ethyl-3,7-dihydro-1,3-dimethyl-;8-bromo-7-ethyl-1,3-dimethyl-3,7-dihydro-1{H}-purine-2,6-dione;7-ethyl-8-bromotheophylline;SCHEMBL2119476;CTK4D6660;ZINC39866;DTXSID70350327;CCG-16192;STL301762

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8-BROMO-7-ETHYL-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE Basic Attributes

Molecular Weight：

287.11

Exact Mass：

286.00700

DSSTox ID：

DTXSID70350327

HScode：

2933990090

Characteristics

PSA：

58.4

XLogP3：

0.21610

Density：

1.77g/cm3

Melting Point：

170-173

Boiling Point：

443.2ºC at 760mmHg

Flash Point：

221.8ºC

Refractive Index：

1.698

Vapor Pressure：

4.73E-08mmHg at 25°C

Safety Information

Hazard note：

Harmful

Computed Properties

Molecular Weight:287.11
XLogP3:0.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:286.00654
Monoisotopic Mass:286.00654
Topological Polar Surface Area:58.4
Heavy Atom Count:16
Complexity:338
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8-BROMO-7-ETHYL-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE

Basic Attributes
Characteristics
Safety Information
Computed Properties

8-BROMO-7-ETHYL-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE

SDS

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