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102187-19-9,MFCD00191571
Catalog No.:AA0006RY
102187-19-9 | 2-Phenylcarbamoyl-1,4-naphthoquinone-4-(4-diethylamino-2-methylphenyl)imine
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Technical Information
Catalog Number:
AA0006RY
Chemical Name:
2-Phenylcarbamoyl-1,4-naphthoquinone-4-(4-diethylamino-2-methylphenyl)imine
CAS Number:
102187-19-9
Molecular Formula:
C28H27N3O2
Molecular Weight:
437.5329
MDL Number:
MFCD00191571
IUPAC Name:
4-[4-(diethylamino)-2-methylphenyl]imino-1-oxo-N-phenylnaphthalene-2-carboxamide
InChI:
InChI=1S/C28H27N3O2/c1-4-31(5-2)21-15-16-25(19(3)17-21)30-26-18-24(27(32)23-14-10-9-13-22(23)26)28(33)29-20-11-7-6-8-12-20/h6-18H,4-5H2,1-3H3,(H,29,33)
InChI Key:
ZYKBEIDPRRYKKQ-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(c(c1)C)N=C1C=C(C(=O)Nc2ccccc2)C(=O)c2c1cccc2)CC
Properties
Computed Properties
 
Complexity:
763  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.21g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
437.543g/mol
Monoisotopic Mass:
437.21g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6  

Synonyms
 
102187-19-9 
Indoaniline dye 
ZYKBEIDPRRYKKQ-URGPHPNLSA-N 
ANW-14663 
MFCD00191571 
AKOS015910903 
ZINC100005380 
ZINC256081145 
AJ-40001 
TC-103408 
P1149 
I14-38504 
2-Phenylcarbamoyl-1,4-naphthoquinone-4-(4-diethylamino-2-methylphenyl)imine 
2-Naphthanilide, 4-[4-diethylamino-o-tolylimino]-1,4-dihydro-1-oxo- 
2-PHENYL CARBAMOYL-1,4-NAPHTHOQUINONE-4-(4-DIETHYLAMINO-2-METHYLPHENYL)IMINE 
3-Phenylcarbamoyl-N-[4'-(N,N-diethylamino)-2'-methylphenyl]-1,4-naphthoquinonimine 
4-[4-(diethylamino)-2-methylphenyl]imino-1-oxo-N-phenylnaphthalene-2-carboxamide 
(E)-4-(4-(diethylamino)-2-methylphenylimino)-1-oxo-N-phenyl-1,4-dihydronaphthalene-2-carboxamide 
2-Naphthalenecarboxamide,4-[[4-(diethylamino)-2-methylphenyl]imino]-1,4-dihydro-1-oxo-N-phenyl- 
4-([4-(Diethylamino)-2-methylphenyl]imino)-1-oxo-N-phenyl-1,4-dihydro-2-naphthalenecarboxamide 
CID634873 
4-((4-(Diethylamino)-2-methylphenyl)imino)-1-oxo-N-phenyl-1,4-dihydronaphthalene-2-carboxamide 
4-(4-Diethylamino-2-methylphenylimino)-1-oxo-N-phenyl-1,4-dihydro-2-naphthalenecarboxamide 
4-[[4-(Diethylamino)-2-methylphenyl]imino]-1-oxo-N-phenyl-1,4-dihydronaphthalene-2-carboxamide 
AC1LCPMO 
ACMC-20980p 
CTK4A0771 
DTXSID20348310 
Literature
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