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8-Bromo-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione

8-Bromo-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione structure

CAS No:
10381-82-5
Formula:
C8H9BrN4O2
Chemical Name:
8-Bromo-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
Synonyms:
1H-Purine-2,6-dione,8-bromo-3,7-dihydro-1,3,7-trimethyl-;Caffeine,8-bromo-;8-Bromo-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione;8-Bromocaffeine;Xanthobin;7-Methyl-8-bromotheophylline;8-Bromo-1,3,7-trimethylxanthine;NSC 11255

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8-Bromo-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione Basic Attributes

Molecular Weight：

273.08700

Exact Mass：

273.09

NSC Number：

11255

DSSTox ID：

DTXSID10146069

HScode：

2933990090

Characteristics

PSA：

61.82000

XLogP3：

-0.26680

Melting Point：

205-207 °C

Safety Information

Transport codes：

UN 2811

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

8-bromocaffeine

Computed Properties

Molecular Weight:273.09
XLogP3:1
Hydrogen Bond Acceptor Count:3
Exact Mass:271.99089
Monoisotopic Mass:271.99089
Topological Polar Surface Area:58.4
Heavy Atom Count:15
Complexity:324
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8-Bromo-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties

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