315698-36-3

Name MLS1547
CAS 315698-36-3
Molecular Formula C19H19ClN4O
MDL Number MFCD02330713
Molecular Weight 354.83
MOL File 315698-36-3.mol
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Chemical Properties

Boiling point  555.8±50.0 °C(Predicted)
density  1.354±0.06 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMF: 20 mg/ml; DMF:PBS (pH 7.2) (1:9): 0.1 mg/ml; DMSO: 10 mg/ml; Ethanol: 5 mg/ml
form  A crystalline solid
pka 4.08±0.30(Predicted)
color  White to light yellow
InChI 1S/C19H19ClN4O/c20-16-12-14(19(25)18-15(16)4-3-7-22-18)13-23-8-10-24(11-9-23)17-5-1-2-6-21-17/h1-7,12,25H,8-11,13H2
InChIKey OPEJNANYABTIGC-UHFFFAOYSA-N
SMILES OC1=C(CN2CCN(C3=NC=CC=C3)CC2)C=C(Cl)C4=CC=CN=C41

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P280-P301+P312-P302+P352-P305+P351+P338
WGK Germany  WGK 3
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Oral

Hazard Information

Spectrum Detail

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