115911-28-9
SAMPIRTINE
Name
SAMPIRTINE
Formula
C12 H12 F N3
MolWeight
217.246
1Identification
【Name】
SAMPIRTINE
【CAS】
【MDL】
MFCD00864334
【English Synonyms】
【Formula】
C12 H12 F N3
【MolWeight】
217.246
【Inchi】
InChI=1S/C12H12FN3/c13-10-4-1-8(2-5-10)7-9-3-6-11(14)16-12(9)15/h1-6H,7H2,(H4,14,15,16)
【InChIKey】
InChIKey=DUMKNGZKVPFVAR-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1Cc2ccc(nc2N)N)F
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
SAMPIRTINE.cml
Quick Release
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