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8-Allyltheophyline

8-Allyltheophyline structure

CAS No:
74039-62-6
Formula:
C10H12N4O2
Chemical Name:
8-Allyltheophyline
Synonyms:
8-Allyltheophylline;Theophylline, 8-allyl-;UNII-JOJ1BV11GF;NSC 14300;JOJ1BV11GF;BRN 0212088;8-Allyltheophyline;NSC14300;1,3-dimethyl-8-prop-2-enyl-7H-purine-2,6-dione;4-26-00-02498 (Beilstein Handbook Reference)

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8-Allyltheophyline Basic Attributes

Molecular Weight：

220.231

Exact Mass：

220.096

UNII：

JOJ1BV11GF

NSC Number：

14300

DSSTox ID：

DTXSID70224933

Characteristics

PSA：

69.3

XLogP3：

1.1

Density：

1.316g/cm3

Boiling Point：

466.6ºC at 760 mmHg

Flash Point：

236ºC

Refractive Index：

1.597

Computed Properties

Molecular Weight:220.23
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:220.09602564
Monoisotopic Mass:220.09602564
Topological Polar Surface Area:69.3
Heavy Atom Count:16
Complexity:344
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8-Allyltheophyline

Basic Attributes
Characteristics
Computed Properties

8-Allyltheophyline

SDS

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