313397-13-6

Name Reversan
CAS 313397-13-6
Molecular Formula C26H27N5O2
MDL Number MFCD01528184
Molecular Weight 441.52
MOL File 313397-13-6.mol

Chemical Properties

Melting point  176-180°C
density  1.26±0.1 g/cm3(Predicted)
storage temp.  Store at RT
solubility  DMSO: ≥8mg/mL at ~60°C
form  powder
pka 11.33±0.46(Predicted)
color  faint yellow to yellow
InChI 1S/C26H27N5O2/c32-26(27-12-7-13-30-14-16-33-17-15-30)22-19-28-31-24(21-10-5-2-6-11-21)18-23(29-25(22)31)20-8-3-1-4-9-20/h1-6,8-11,18-19H,7,12-17H2,(H,27,32)
InChIKey JTRXWCLQFAZHGP-UHFFFAOYSA-N
SMILES O=C(NCCCN1CCOCC1)c2cnn3c(cc(nc23)-c4ccccc4)-c5ccccc5

Safety Data

WGK Germany  3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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