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1,7-Dimethyl-3-isobutylxanthine

1,7-Dimethyl-3-isobutylxanthine structure

CAS No:
7464-84-8
Formula:
C11H16N4O2
Chemical Name:
1,7-Dimethyl-3-isobutylxanthine
Synonyms:
1,7-Dimethyl-3-isobutylxanthine;1,7-dimethyl-3-(2-methylpropyl)purine-2,6-dione;CHEMBL25096;NSC400043;SCHEMBL1200300;CTK5E0201;DTXSID00321929;1H-Purine-2,6-dione, 3,7-dihydro-1,7-dimethyl-3-(2-methylpropyl)-;BDBM50025575;ZINC13212561

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1,7-Dimethyl-3-isobutylxanthine Basic Attributes

Molecular Weight：

236.275

Exact Mass：

236.12700

NSC Number：

400043

DSSTox ID：

DTXSID00321929

HScode：

2933990090

Characteristics

PSA：

58.4

XLogP3：

0.08970

Density：

1.3 g/cm3

Boiling Point：

427ºC at 760 mmHg

Flash Point：

212.1ºC

Refractive Index：

1.625

Computed Properties

Molecular Weight:236.27
XLogP3:1.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:236.12732577
Monoisotopic Mass:236.12732577
Topological Polar Surface Area:58.4
Heavy Atom Count:17
Complexity:344
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,7-Dimethyl-3-isobutylxanthine

Basic Attributes
Characteristics
Computed Properties

1,7-Dimethyl-3-isobutylxanthine

SDS

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