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

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

CAS No:
37789-28-9
Formula:
C8H11N5O2
Chemical Name:
8-Amino-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
Synonyms:
1H-Purine-2,6-dione,8-amino-3,7-dihydro-1,3,7-trimethyl-;Caffeine,8-amino-;8-Amino-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione;8-Aminocaffeine;NSC 11261

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

Molecular Weight：

209.20500

Exact Mass：

209.21

NSC Number：

11261

DSSTox ID：

DTXSID50191235

HScode：

2933990090

Characteristics

PSA：

87.84000

XLogP3：

-0.86590

Density：

1.6g/cm3

Boiling Point：

456.6ºC

Flash Point：

229.9ºC

Refractive Index：

1.735

Computed Properties

Molecular Weight:209.21
XLogP3:-0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:209.09127461
Monoisotopic Mass:209.09127461
Topological Polar Surface Area:84.5
Heavy Atom Count:15
Complexity:320
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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