54079-53-7
[[4-[[2-(4-CYCLOHEXYLPHENOXY)ETHYL]ETHYLAMINO]-2-METHYLPHENYL]METHYLENE]MALONONITRILE
Name
[[4-[[2-(4-CYCLOHEXYLPHENOXY)ETHYL]ETHYLAMINO]-2-METHYLPHENYL]METHYLENE]MALONONITRILE
Formula
C27 H31 N3 O
MolWeight
413.562
1Identification
【Name】
[[4-[[2-(4-CYCLOHEXYLPHENOXY)ETHYL]ETHYLAMINO]-2-METHYLPHENYL]METHYLENE]MALONONITRILE
【CAS】
【MDL】
MFCD23379973
【English Synonyms】
【Formula】
C27 H31 N3 O
【MolWeight】
413.562
【Inchi】
InChI=1S/C27H31N3O/c1-3-30(26-12-9-25(21(2)17-26)18-22(19-28)20-29)15-16-31-27-13-10-24(11-14-27)23-7-5-4-6-8-23/h9-14,17-18,23H,3-8,15-16H2,1-2H3
【InChIKey】
InChIKey=NQAJBKZEQYYFGK-UHFFFAOYSA-N
【SMILES】
CCN(CCOc1ccc(cc1)C2CCCCC2)c3ccc(c(c3)C)C=C(C#N)C#N
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
[[4-[[2-(4-CYCLOHEXYLPHENOXY)ETHYL]ETHYLAMINO]-2-METHYLPHENYL]METHYLENE]MALONONITRILE.cml
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