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86299-47-0

86299-47-0 structural image
Product Name: (Z)-2-Amino-alpha-[1-(tert-butoxycarbonyl)]-1-methylethoxyimino-4-thiazolacetic acid
Formula: C13H19N3O5S
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >49.4 [ug/mL] (The mean of the results at pH 7.4)

SAFETY INFORMATION

Signal word Danger
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
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