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Diss Factsheets

Reference substances

Reference substances

Currently viewing:
IUPAC name:
2-[(4-{[2-(4-cyclohexylphenoxy)ethyl](ethyl)amino}-2-methylphenyl)methylidene]propanedinitrile

Inventory

EC number:
258-964-5
EC name:
[[4-[[2-(4-cyclohexylphenoxy)ethyl]ethylamino]-2-methylphenyl]methylene]malononitrile
CAS number:
54079-53-7
CAS number:
54079-53-7
Synonyms
Names:
Propanedinitrile, 4- 2-(4-cyclohexylphenoxy)ethyl ethylamino -2-methylphenyl methylene -
Propanedinitrile, [[4-[[2-(4-cyclohexylphenoxy) ethyl]ethylamino]-2-methylphenyl]methylene]-
Propanedinitrile, [[4-[[2-(4-cyclohexylphenoxy)ethyl]ethylamino]-2-methylphenyl]methylene]-
Identifier:
IUPAC name
[[4-[[2-(4-cyclohexylphenoxy)ethyl]ethylamino]-2-methylphenyl]methylene]malononitrile
Identifier:
Colour Index
Solvent Yellow 179
Identifier:
common name
Disperse Yellow 201
Identifier:
other: InChl
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
Identifier:
other: SMILES notation
C(#N)C(C(#N))=Cc(c(cc(N(CCOc(ccc(c1)C(CCCC2)C2)c1)CC)c3)C)c3
Identifier:
other: SMILES notation
N#C\C(C#N)=C/c1c(cc(N(CCOc2ccc(cc2)C2CCCCC2)CC)cc1)C
(4-{[2-(4-cyclohexylphenoxy)ethyl](ethyl)amino}-2-methylbenzylidene)malononitrile

Molecular and structural information

Molecular formula:
C27H31N3O
Molecular weight:
413.555
SMILES notation:
CCN(CCOc1ccc(cc1)C2CCCCC2)c3ccc(C=C(C#N)C#N)c(C)c3
InChl:
InChI=1/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
Structural formula:
Chemical structure

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