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5-Amino-3,7-dimethylxanthine

5-Amino-3,7-dimethylxanthine structure

CAS No:
81281-47-2
Formula:
C7H9N5O2
Chemical Name:
5-Amino-3,7-dimethylxanthine
Synonyms:
NSC 367963;5-Amino-3,7-dimethylxanthine;1-Amino-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione;1H-Purine-2,6-dione, 1-aMino-3,7-dihydro-3,7-diMethyl-

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Description

White Solid

5-Amino-3,7-dimethylxanthine Basic Attributes

Molecular Weight：

195.18

Exact Mass：

196.08300

NSC Number：

367963

DSSTox ID：

DTXSID30321018

Characteristics

PSA：

91.03000

XLogP3：

-0.8

Appearance：

white solid

Density：

1.69g/cm3

Boiling Point：

477.2ºC at 760 mmHg

Flash Point：

242.4ºC

Refractive Index：

1.772

5-Amino-3,7-dimethylxanthine Use and Manufacturing

Intermediate for the synthesis of Theobromine

Computed Properties

Molecular Weight:195.18
XLogP3:-0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:195.07562455
Monoisotopic Mass:195.07562455
Topological Polar Surface Area:84.5
Heavy Atom Count:14
Complexity:294
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-Amino-3,7-dimethylxanthine

Description
Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

5-Amino-3,7-dimethylxanthine

SDS

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