890090-63-8
Product Name:
(E)-2-(4-BOC-PIPERAZIN-1-YL)-4-CYCLOHEXYL-3-BUTENOIC ACID
Formula:
C19H32N2O4
Synonyms:
(E)-2-[4-(tert-Butoxycarbonyl)piperazin-1-yl]-4-cyclohexl-3-butenoic acid
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SAFETY INFORMATION
Signal word | Warning |
---|---|
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. 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 | 352.5 g/mol |
---|---|
XLogP3 | 1.5 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 6 |
Exact Mass | 352.23620751 g/mol |
Monoisotopic Mass | 352.23620751 g/mol |
Topological Polar Surface Area | 70.1 Ų |
Heavy Atom Count | 25 |
Formal Charge | 0 |
Complexity | 484 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 1 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |