7536-58-5
Product Name:
Boc-L-aspartic acid 4-benzyl ester
Formula:
C16H21NO6
Synonyms:
N-(tert-Butoxycarbonyl)-L -aspartic acid 4-benzyl ester;Boc-L -aspartic acid 4-benzyl ester;Boc-Asp(OBzl)-OH;N-α-t.-Boc-L-aspartic acid β-benzyl ester
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SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H301:Acute toxicity,oral H311:Acute toxicity,dermal H331:Acute toxicity,inhalation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. 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. P330:Rinse mouth. P361:Remove/Take off immediately all contaminated clothing. P302+P352:IF ON SKIN: wash with plenty of soap and water. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P405:Store locked up. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 323.34 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Exact Mass | 323.13688739 g/mol |
| Monoisotopic Mass | 323.13688739 g/mol |
| Topological Polar Surface Area | 102 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 423 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |