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114090-37-8 | Acetamide, 2-[[4-(dibutylamino)phenyl]oxidoimino]-N-phenyl-
CAS No: 114090-37-8 Catalog No: AG000AIJ MDL No:
Product Description
Catalog Number:
AG000AIJ
Chemical Name:
Acetamide, 2-[[4-(dibutylamino)phenyl]oxidoimino]-N-phenyl-
CAS Number:
114090-37-8
Molecular Formula:
C22H29N3O2
Molecular Weight:
367.4846
IUPAC Name:
N-[2-[4-(dibutylamino)phenyl]iminoacetyl]benzeneamine oxide
InChI:
InChI=1S/C22H29N3O2/c1-3-5-16-24(17-6-4-2)20-14-12-19(13-15-20)23-18-22(26)25(27)21-10-8-7-9-11-21/h7-15,18,25H,3-6,16-17H2,1-2H3
InChI Key:
RZJJOFJEQCTWCG-UHFFFAOYSA-N
SMILES:
CCCCN(c1ccc(cc1)N=CC(=O)[NH+](c1ccccc1)[O-])CCCC
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.226g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
367.493g/mol
Monoisotopic Mass:
367.226g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
54.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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