Identification Chemical Properties Spectrum Detail Supplier

1373116-05-2

Name (5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CAS 1373116-05-2
EINECS(EC#) 879-204-4
Molecular Formula C16H16F2N2O
MDL Number MFCD34184509
Molecular Weight 290.31
MOL File 1373116-05-2.mol
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Chemical Properties

Boiling point  418.7±45.0 °C(Predicted)
density  1.293±0.06 g/cm3(Predicted)
pka 13.22±0.60(Predicted)
InChI InChI=1S/C16H16F2N2O/c17-12-5-1-3-9(14(12)18)10-6-7-13(21)16-11(15(10)19)4-2-8-20-16/h1-5,8,10,13,15,21H,6-7,19H2/t10-,13+,15-/m0/s1
InChIKey LZGRTPPTGDJDKZ-ZBINZKHDSA-N
SMILES C12[C@H](O)CC[C@@H](C3=CC=CC(F)=C3F)[C@H](N)C1=CC=CN=2

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