456-12-2

Name Aegelin
CAS 456-12-2
EINECS(EC#) 1533716-785-6
Molecular Formula C18H19NO3
MDL Number MFCD00048045
Molecular Weight 297.348
MOL File 456-12-2.mol
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Chemical Properties

Melting point  178-179℃
Boiling point  567.7±50.0 °C(Predicted)
density  1.178±0.06 g/cm3(Predicted)
storage temp.  under inert gas (nitrogen or Argon) at 2-8°C
form  powder to crystal
pka 13.70±0.20(Predicted)
color  White to Light yellow
Major Application pharmaceutical (small molecule)
InChI 1S/C18H19NO3/c1-22-16-10-8-15(9-11-16)17(20)13-19-18(21)12-7-14-5-3-2-4-6-14/h2-12,17,20H,13H2,1H3,(H,19,21)/b12-7+
InChIKey QRFDENJATPJOKG-KPKJPENVSA-N
SMILES N(CC(O)c2ccc(cc2)OC)C(=O)\C=C\c1ccccc1

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P264-P270-P301+P312-P501
WGK Germany  WGK 3
HS Code  2924.29.7790
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

Spectrum Detail

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