898772-42-4
3-(AZETIDINOMETHYL)PHENYL CYCLOHEXYL KETONE
Name3-(AZETIDINOMETHYL)PHENYL CYCLOHEXYL KETONE
1Identification
【Name】
3-(AZETIDINOMETHYL)PHENYL CYCLOHEXYL KETONE
【CAS】
【MDL】
MFCD03842115
【English Synonyms】
【Formula】
C17 H23 N O
【MolWeight】
257.375
【Inchi】
InChI=1S/C17H23NO/c19-17(15-7-2-1-3-8-15)16-9-4-6-14(12-16)13-18-10-5-11-18/h4,6,9,12,15H,1-3,5,7-8,10-11,13H2
【InChIKey】
InChIKey=VLKSEYJODVFVLI-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)C(=O)C2CCCCC2)CN3CCC3
【MOL File】
3-(AZETIDINOMETHYL)P….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(AZETIDINOMETHYL)PHENYL CYCLOHEXYL KETONE.cml