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172138-95-3

172138-95-3 structural image
Product Name: (+)-N,N'-(1S,2S)-1,2-DIAMINOCYCLOHEXANEDIYLBIS(2-PYRIDINECARBOXAMIDE)
Formula: C18H20N4O2
Synonyms: (+)-N,N′-(1S,2S)-1,2-Diaminocyclohexanediylbis(2-pyridinecarboxamide);(R,R)-DACH-pyridyl TROST ligand;(1R,2R)-N,N′-1,2-Cyclohexanediylbis(2-pyridinecarboxamide);(1R,2R)-1,2-Bis(2-pyridinecarboxamido)cyclohexane;(1S,2S)-(+)-1,2-Bis[(2-pyridinylcarbonyl)amino]cyclohexane
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
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 324.4 g/mol
XLogP3 2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 324.15862589 g/mol
Monoisotopic Mass 324.15862589 g/mol
Topological Polar Surface Area 84 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 403
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes