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8-(Aminomethyl)-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione

8-(Aminomethyl)-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione structure

CAS No:
5426-57-3
Formula:
C8H11N5O2
Chemical Name:
8-(Aminomethyl)-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione
Synonyms:
1H-Purine-2,6-dione,8-(aminomethyl)-3,9-dihydro-1,3-dimethyl-;1H-Purine-2,6-dione,8-(aminomethyl)-3,7-dihydro-1,3-dimethyl-;8-(Aminomethyl)-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione;8-(Aminomethyl)theophylline;8-(Aminomethyl)-1,3-dimethylxanthine;NSC 14291

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8-(Aminomethyl)-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione Basic Attributes

Molecular Weight：

209.20500

Exact Mass：

209.21

NSC Number：

14291

DSSTox ID：

DTXSID50276899

HScode：

2933990090

Characteristics

PSA：

98.70000

XLogP3：

-0.88070

Density：

1.464g/cm3

Melting Point：

252 °C

Boiling Point：

503.7ºC

Flash Point：

258.5ºC

Refractive Index：

1.641

Computed Properties

Molecular Weight:209.21
XLogP3:-1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:209.09127461
Monoisotopic Mass:209.09127461
Topological Polar Surface Area:95.3
Heavy Atom Count:15
Complexity:307
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8-(Aminomethyl)-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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