25024-53-7
Product Name:
BOC-HIS(DNP)-OH
Formula:
C17H19N5O8
Synonyms:
Nα-Boc-N(im)-2,4-dinitrophenyl-L -histidine
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SAFETY INFORMATION
Pictogram(s) |
Corrosion Corrosives GHS05 |
GHS Hazard Statements |
H314:Skin corrosion/irritation |
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 | 421.4 g/mol |
---|---|
XLogP3 | 2 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 9 |
Rotatable Bond Count | 7 |
Exact Mass | 421.12336258 g/mol |
Monoisotopic Mass | 421.12336258 g/mol |
Topological Polar Surface Area | 185 Ų |
Heavy Atom Count | 30 |
Formal Charge | 0 |
Complexity | 671 |
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 |