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(S)-3-Amino-hexahydro-2-azepinone Structure

(S)-3-Amino-hexahydro-2-azepinone

  • Product Name(S)-3-Amino-hexahydro-2-azepinone
  • CAS21568-87-6
  • CBNumberCB0740500
  • MFC6H12N2O
  • MW128.17
  • MDL NumberMFCD00064476
  • MOL File21568-87-6.mol

Chemical Properties

Melting point: 97-101 °C
Boiling point: 315.1±35.0 °C(Predicted)
Density  1.031±0.06 g/cm3(Predicted)
storage temp.  −20°C
solubility  Aqueous Acid (Slightly), DMSO (Slightly), Methanol (Slightly)
pka 16.06±0.40(Predicted)
form  Yellow Thick Oil to Semi-Solid
Appearance Light yellow to yellow Solid
optical activity Consistent with structure
InChI InChI=1S/C6H12N2O/c7-5-3-1-2-4-8-6(5)9/h5H,1-4,7H2,(H,8,9)/t5-/m0/s1
InChIKey BOWUOGIPSRVRSJ-YFKPBYRVSA-N
SMILES N1CCCC[C@H](N)C1=O
CAS DataBase Reference 21568-87-6(CAS DataBase Reference)

Safety

Symbol(GHS)  Exclamation Mark (GHS07)
Signal word  Warning
Hazard statements  H302-H315-H320-H335
Precautionary statements  P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
HS Code  2933790090

(S)-3-Amino-hexahydro-2-azepinone Chemical Properties,Usage,Production

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