86299-47-0
Product Name:
(Z)-2-Amino-alpha-[1-(tert-butoxycarbonyl)]-1-methylethoxyimino-4-thiazolacetic acid
Formula:
C13H19N3O5S
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Solubility | >49.4 [ug/mL] (The mean of the results at pH 7.4) |
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SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Flame Flammables GHS02 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H228:Flammable solids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P370+P378:In case of fire: Use … for extinction. |
COMPUTED DESCRIPTORS
Molecular Weight | 329.37 g/mol |
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XLogP3 | 2.4 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 9 |
Rotatable Bond Count | 7 |
Exact Mass | 329.10454189 g/mol |
Monoisotopic Mass | 329.10454189 g/mol |
Topological Polar Surface Area | 152 Ų |
Heavy Atom Count | 22 |
Formal Charge | 0 |
Complexity | 473 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |