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1-[2-(diethylamino)ethyl]-3,7-dimethylpurine-2,6-dione

1-[2-(diethylamino)ethyl]-3,7-dimethylpurine-2,6-dione structure

CAS No:
47043-84-5
Formula:
C13H21N5O2
Chemical Name:
1-[2-(diethylamino)ethyl]-3,7-dimethylpurine-2,6-dione
Synonyms:
Diaethylaminoaethyltheobromin;

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1-[2-(diethylamino)ethyl]-3,7-dimethylpurine-2,6-dione Basic Attributes

Molecular Weight：

279.33800

Exact Mass：

279.16952493 g/mol

DSSTox ID：

DTXSID10197011

Characteristics

PSA：

65.06000

XLogP3：

-0.22450

Density：

1.24g/cm3

Boiling Point：

464.5ºC

Flash Point：

234.7ºC

Refractive Index：

1.605

Computed Properties

Molecular Weight:279.34
XLogP3:0.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:279.16952493
Monoisotopic Mass:279.16952493
Topological Polar Surface Area:61.7
Heavy Atom Count:20
Complexity:385
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[2-(diethylamino)ethyl]-3,7-dimethylpurine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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