117490-40-1
Product Name:
Theobromine-D6
Formula:
C7H2D6N4O2
Synonyms:
2,6-Dihydroxy-3,7-dimethylpurine-(dimethyl-d6);3,7-Dimethyl-1H-purine-2,6-dione-(dimethyl-d6);Theobromine-(dimethyl-d6)
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SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
COMPUTED DESCRIPTORS
| Molecular Weight | 186.20 g/mol |
|---|---|
| XLogP3 | -0.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 186.10238599 g/mol |
| Monoisotopic Mass | 186.10238599 g/mol |
| Topological Polar Surface Area | 67.2 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 267 |
| Isotope Atom Count | 6 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Theobromine-d6 is an oxopurine.