152521-09-0
Product Name:
BENZOYLECGONINE ETHYL ESTER-D8
Formula:
C18H15D8NO4
Synonyms:
Benzoylecgonine ethyl ester-D8 solution;Cocaethylene-D8 solution
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SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H225:Flammable liquids H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 325.4 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 325.21292218 g/mol |
| Monoisotopic Mass | 325.21292218 g/mol |
| Topological Polar Surface Area | 55.8 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 446 |
| Isotope Atom Count | 8 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |