53179-07-0
NISOXETINE
Name
NISOXETINE
Formula
C17 H21 N O2
MolWeight
271.358
1Identification
【Name】
NISOXETINE
【CAS】
【MDL】
MFCD00865443
【English Synonyms】
【Formula】
C17 H21 N O2
【MolWeight】
271.358
【Inchi】
InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3
【InChIKey】
InChIKey=ITJNARMNRKSWTA-UHFFFAOYSA-N
【SMILES】
CNCCC(c1ccccc1)Oc2ccccc2OC
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
NISOXETINE.cml
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