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119006-66-5 | 2-Naphthalenecarbonitrile, 4-[[4-(diethylamino)phenyl]imino]-1,4-dihydro-1-oxo-
CAS No: 119006-66-5 Catalog No: AG000P12 MDL No:
Product Description
Catalog Number:
AG000P12
Chemical Name:
2-Naphthalenecarbonitrile, 4-[[4-(diethylamino)phenyl]imino]-1,4-dihydro-1-oxo-
CAS Number:
119006-66-5
Molecular Formula:
C21H19N3O
Molecular Weight:
329.3951
IUPAC Name:
4-[4-(diethylamino)phenyl]imino-1-oxonaphthalene-2-carbonitrile
InChI:
InChI=1S/C21H19N3O/c1-3-24(4-2)17-11-9-16(10-12-17)23-20-13-15(14-22)21(25)19-8-6-5-7-18(19)20/h5-13H,3-4H2,1-2H3
InChI Key:
QIZNVVYZTZEDRW-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)N=C1C=C(C#N)C(=O)c2c1cccc2)CC
Properties
Complexity:
600
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.153g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.403g/mol
Monoisotopic Mass:
329.153g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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