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102348-86-7 | Propanedinitrile, 2-[[4-(dihexylamino)phenyl]methylene]-
CAS No: 102348-86-7 Catalog No: AG000788 MDL No:
Product Description
Catalog Number:
AG000788
Chemical Name:
Propanedinitrile, 2-[[4-(dihexylamino)phenyl]methylene]-
CAS Number:
102348-86-7
Molecular Formula:
C22H31N3
Molecular Weight:
337.5016
IUPAC Name:
2-[[4-(dihexylamino)phenyl]methylidene]propanedinitrile
InChI:
InChI=1S/C22H31N3/c1-3-5-7-9-15-25(16-10-8-6-4-2)22-13-11-20(12-14-22)17-21(18-23)19-24/h11-14,17H,3-10,15-16H2,1-2H3
InChI Key:
VUKZQFJCCITIMR-UHFFFAOYSA-N
SMILES:
CCCCCCN(c1ccc(cc1)C=C(C#N)C#N)CCCCCC
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.252g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.511g/mol
Monoisotopic Mass:
337.252g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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