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3,7-Dihydro-8-(hydroxymethyl)-1,3-dimethyl-1H-purine-2,6-dione

3,7-Dihydro-8-(hydroxymethyl)-1,3-dimethyl-1H-purine-2,6-dione structure

CAS No:
2879-16-5
Formula:
C8H10N4O3
Chemical Name:
3,7-Dihydro-8-(hydroxymethyl)-1,3-dimethyl-1H-purine-2,6-dione
Synonyms:
8-(Hydroxymethyl)theophylline;Theophylline, 8-(hydroxymethyl)-;8-(hydroxymethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione;8-Oxymethyltheophylline;NSC 36522;1H-Purine-2, 3,7-dihydro-8-(hydroxymethyl)-1,3-dimethyl-;1H-Purine-2,6-dione, 3,7-dihydro-8-(hydroxymethyl)-1,3-dimethyl-;NSC 14362;8-(Hydroxymethyl)theophyline;Oprea1_570776

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3,7-Dihydro-8-(hydroxymethyl)-1,3-dimethyl-1H-purine-2,6-dione Basic Attributes

Molecular Weight：

210.19000

Exact Mass：

210.07500

NSC Number：

36522|14362

DSSTox ID：

DTXSID00182971

HScode：

2933990090

Characteristics

PSA：

92.91000

XLogP3：

-0.9

Density：

1.537g/cm3

Melting Point：

248 °C

Boiling Point：

531.1ºC at 760 mmHg

Flash Point：

275ºC

Refractive Index：

1.645

Vapor Pressure：

4.16E-12mmHg at 25°C

Computed Properties

Molecular Weight:210.19
XLogP3:-0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:210.07529019
Monoisotopic Mass:210.07529019
Topological Polar Surface Area:89.5
Heavy Atom Count:15
Complexity:308
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,7-Dihydro-8-(hydroxymethyl)-1,3-dimethyl-1H-purine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

3,7-Dihydro-8-(hydroxymethyl)-1,3-dimethyl-1H-purine-2,6-dione

SDS

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