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3,7-Dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)-1H-purine-2,6-dione

3,7-Dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)-1H-purine-2,6-dione structure

CAS No:
5089-89-4
Formula:
C12H17N5O3
Chemical Name:
3,7-Dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)-1H-purine-2,6-dione
Synonyms:
1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)-;Theophylline,7-(morpholinomethyl)-;3,7-Dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)-1H-purine-2,6-dione;Xanturil;7-Morpholinomethyltheophylline;1,3-Dimethyl-7-morpholinomethylxanthine;NSC 130842;1,3-Dimethyl-7-(morpholin-4-ylmethyl)purine-2,6-dione

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3,7-Dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)-1H-purine-2,6-dione Basic Attributes

Molecular Weight：

279.29508

Exact Mass：

279.30

EC Number：

225-808-2

UNII：

S1F9HMA2TP

NSC Number：

130842

DSSTox ID：

DTXSID60198912

HScode：

2934999090

Characteristics

PSA：

70.9

XLogP3：

-0.8

Density：

1.48g/cm3

Melting Point：

177 °C

Boiling Point：

500.2ºC at 760 mmHg

Flash Point：

256.3ºC

Refractive Index：

1.691

Drug Information

MeSH Entry Terms：

2-(1,3-dimethylxanthinyl-7-methyl)-4-methylmorpholine

Computed Properties

Molecular Weight:279.30
XLogP3:-0.8
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:279.13313942
Monoisotopic Mass:279.13313942
Topological Polar Surface Area:70.9
Heavy Atom Count:20
Complexity:412
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,7-Dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)-1H-purine-2,6-dione

Basic Attributes
Characteristics
Drug Information
Computed Properties

3,7-Dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)-1H-purine-2,6-dione

SDS

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