308242-23-1

Name (3S)-(7-BroMo-2-oxo-5-pyridin-2-yl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-propionic acid Methyl ester
CAS 308242-23-1
Molecular Formula C18H16BrN3O3
Molecular Weight 402.24
MOL File 308242-23-1.mol
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Chemical Properties

Boiling point  545.3±50.0 °C(Predicted)
density  1.52±0.1 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
pka 11.15±0.70(Predicted)
Appearance Off-white to light yellow Solid
Optical Rotation 233.5°(C=1.0g/100ml DMF)
InChI InChI=1S/C18H16BrN3O3/c1-25-16(23)8-7-15-18(24)22-13-6-5-11(19)10-12(13)17(21-15)14-4-2-3-9-20-14/h2-6,9-10,15H,7-8H2,1H3,(H,22,24)/t15-/m0/s1
InChIKey PITXBYGUVDYTBQ-HNNXBMFYSA-N
SMILES N1C2=CC=C(Br)C=C2C(C2=NC=CC=C2)=N[C@@H](CCC(OC)=O)C1=O

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
REACH Registrations Inactive

Spectrum Detail

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