509073-62-5
Product Name:
TERT-BUTYL 4-(4-NITROBENZOYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE
Formula:
C16H21N3O5
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SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05  Environment GHS09 |
| GHS Hazard Statements |
H314:Skin corrosion/irritation H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P310:Immediately call a POISON CENTER or doctor/physician. P363:Wash contaminated clothing before reuse. P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. |
COMPUTED DESCRIPTORS
| Molecular Weight | 335.35 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 335.14812078 g/mol |
| Monoisotopic Mass | 335.14812078 g/mol |
| Topological Polar Surface Area | 95.7 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 481 |
| Isotope Atom Count | 0 |
| 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 |