432529-82-3

Name BCI-121
CAS 432529-82-3
Molecular Formula C14H18BrN3O2
MDL Number MFCD02149239
Molecular Weight 340.22
MOL File 432529-82-3.mol
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Chemical Properties

Boiling point  576.1±50.0 °C(Predicted)
density  1.474±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMF:30.0(Max Conc. mg/mL);88.18(Max Conc. mM)
DMSO:66.0(Max Conc. mg/mL);193.99(Max Conc. mM)
DMSO:PBS (pH 7.2) (1:2):0.33(Max Conc. mg/mL);0.97(Max Conc. mM)
Ethanol:39.0(Max Conc. mg/mL);114.63(Max Conc. mM)
form  powder
pka 13.82±0.70(Predicted)
color  white to beige
InChI 1S/C14H18BrN3O2/c15-11-1-3-12(4-2-11)17-13(19)9-18-7-5-10(6-8-18)14(16)20/h1-4,10H,5-9H2,(H2,16,20)(H,17,19)
InChIKey KSUYPIXCRPCPGF-UHFFFAOYSA-N
SMILES Brc1ccc(cc1)NC(=O)CN2CCC(CC2)C(=O)N

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
HS Code  2933399990
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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