121104-96-9

Name celgosivir
CAS 121104-96-9
Molecular Formula C12H21NO5
MDL Number MFCD00886617
Molecular Weight 259.3
MOL File 121104-96-9.mol

Chemical Properties

Melting point  114-115 °C
Boiling point  422.9±45.0 °C(Predicted)
density  1.33±0.1 g/cm3(Predicted)
storage temp.  Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility  Chloroform (Slightly), DMSO (Slightly)
form  Solid
pka 13.14±0.70(Predicted)
color  White to Pale Beige
Water Solubility  H2O: 2mg/mL, clear
Stability: Hygroscopic
InChI 1S/C12H21NO5/c1-2-3-9(15)18-8-6-13-5-4-7(14)10(13)12(17)11(8)16/h7-8,10-12,14,16-17H,2-6H2,1H3/t7-,8-,10+,11+,12+/m0/s1
InChIKey HTJGLYIJVSDQAE-VWNXEWBOSA-N
SMILES O[C@@H]1[C@@H](OC(CCC)=O)CN2[C@@]([C@@H](O)CC2)([H])[C@H]1O

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

Supplier