4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid
Bezeichnung:4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid
CAS-Nr641569-94-0
Englisch Name:4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid
CBNumberCB61503982
SummenformelC17H14N4O2
Molgewicht306.32
MOL-Datei641569-94-0.mol
4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid physikalisch-chemischer Eigenschaften
Schmelzpunkt | >257oC (dec.) |
Siedepunkt | 587.9±60.0 °C(Predicted) |
Dichte | 1.336 |
storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C |
Löslichkeit | DMSO (Slightly), Methanol (Slightly, Heated) |
pka | 4.35±0.10(Predicted) |
Aggregatzustand | Solid |
Farbe | Pale Beige |
Stabilität | Hygroscopic |
InChI | InChI=1S/C17H14N4O2/c1-11-4-5-12(16(22)23)9-15(11)21-17-19-8-6-14(20-17)13-3-2-7-18-10-13/h2-10H,1H3,(H,22,23)(H,19,20,21) |
InChIKey | LDLZPHLSVKGFSC-UHFFFAOYSA-N |
SMILES | C(O)(=O)C1=CC=C(C)C(NC2=NC=CC(C3=CC=CN=C3)=N2)=C1 |
CAS Datenbank | 641569-94-0(CAS DataBase Reference) |