1248-42-6
PITOFENONE HCL
Name
PITOFENONE HCL
Formula
C22 H25 N O4 . Cl H
MolWeight
403.903
1Identification
【Name】
PITOFENONE HCL
【CAS】
1248-42-6
;54063-52-4
【MDL】
MFCD01661944
【English Synonyms】
【Formula】
C22 H25 N O4 . Cl H
【MolWeight】
403.903
【Inchi】
InChI=1S/C22H25NO4.ClH/c1-26-22(25)20-8-4-3-7-19(20)21(24)17-9-11-18(12-10-17)27-16-15-23-13-5-2-6-14-23;/h3-4,7-12H,2,5-6,13-16H2,1H3;1H
【InChIKey】
InChIKey=ZRFIFDFEDPJBII-UHFFFAOYSA-N
【SMILES】
COC(=O)c1ccccc1C(=O)c2ccc(cc2)OCCN3CCCCC3.Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PITOFENONE HCL.cml
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