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1,9-Dimethylxanthine

1,9-Dimethylxanthine structure

CAS No:
33073-01-7
Formula:
C7H8N4O2
Chemical Name:
1,9-Dimethylxanthine
Synonyms:
1H-Purine-2,6-dione,3,9-dihydro-1,9-dimethyl-;Xanthine,1,9-dimethyl-;3,9-Dihydro-1,9-dimethyl-1H-purine-2,6-dione;1,9-Dimethylxanthine;1,9-Dimethyl-1H-purine-2,6(3H,9H)-dione

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1,9-Dimethylxanthine Basic Attributes

Molecular Weight：

180.16

Exact Mass：

180.16

EC Number：

251-367-0

UNII：

6AG30927DU

DSSTox ID：

DTXSID10186723

Characteristics

PSA：

67.2 Å²

Melting Point：

350 °C (decomp)

Safety Information

wgk germany：

safety instructions：

22-24/25

Drug Information

MeSH Entry Terms：

1,9-dimethylxanthine

Computed Properties

Molecular Weight:180.16
XLogP3:-0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:180.06472551
Monoisotopic Mass:180.06472551
Topological Polar Surface Area:67.2
Heavy Atom Count:13
Complexity:267
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,9-Dimethylxanthine

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties

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