3690-10-6

Name ZEBULARINE
CAS 3690-10-6
EINECS(EC#) 2017-001-1
Molecular Formula C9H12N2O5
MDL Number MFCD04973699
Molecular Weight 228.203
MOL File 3690-10-6.mol

Chemical Properties

Melting point  160-162?C
Boiling point  499.0±55.0 °C(Predicted)
density  1.73±0.1 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMSO: 16 mg/mL, soluble
form  solid
pka 13.48±0.70(Predicted)
color  White
Stability: Stable for 2 years from date of purchase as supplied. Solutions in DMSO or distilled water may be stored at -20° for up to 1 month.
InChI InChI=1/C9H12N2O5/c12-4-5-6(13)7(14)8(16-5)11-3-1-2-10-9(11)15/h1-3,5-8,12-14H,4H2/t5-,6-,7-,8-/s3
InChIKey RPQZTTQVRYEKCR-WCTZXXKLSA-N
SMILES N1(C=CC=NC1=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |&1:7,9,12,14,r|

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H320-H335
Precautionary statements  P264-P270-P301+P312-P330
WGK Germany  3
RTECS  UW7539720
HS Code  2934999090
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

Supplier