431898-65-6

Name N-(6-CHLORO-9H-PYRIDO[3,4-B]INDOL-8-YL)-3-PYRIDINECARBOXAMIDE DIHYDROCHLORIDE
CAS 431898-65-6
Molecular Formula C17H11ClN4O
MDL Number MFCD08705411
Molecular Weight 322.75
MOL File 431898-65-6.mol

Chemical Properties

Boiling point  511.0±50.0 °C(Predicted)
density  1.513±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMSO: >3mg/mL at ~60°C, clear (with warming for 2 minutes)
form  solid
pka 11.75±0.43(Predicted)
color  yellow
InChI 1S/C17H11ClN4O.2ClH/c18-11-6-13-12-3-5-20-9-15(12)21-16(13)14(7-11)22-17(23)10-2-1-4-19-8-10;;/h1-9,21H,(H,22,23);2*1H
InChIKey QTDCBADLGJZBHP-UHFFFAOYSA-N
SMILES Cl[H].Cl[H].Clc1cc(NC(=O)c2cccnc2)c3[nH]c4cnccc4c3c1

Safety Data

Hazard Codes  Xn
Risk Statements 
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

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