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87298-16-6 | Propanedinitrile, [3,3-bis(methylphenylamino)-2-propenylidene]-
CAS No: 87298-16-6 Catalog No: AG004P10 MDL No:
Product Description
Catalog Number:
AG004P10
Chemical Name:
Propanedinitrile, [3,3-bis(methylphenylamino)-2-propenylidene]-
CAS Number:
87298-16-6
Molecular Formula:
C20H18N4
Molecular Weight:
314.3837
IUPAC Name:
2-[3,3-bis(N-methylanilino)prop-2-enylidene]propanedinitrile
InChI:
InChI=1S/C20H18N4/c1-23(18-9-5-3-6-10-18)20(14-13-17(15-21)16-22)24(2)19-11-7-4-8-12-19/h3-14H,1-2H3
InChI Key:
KIVDASNOBIUVIW-UHFFFAOYSA-N
SMILES:
CN(C(=CC=C(C#N)C#N)N(c1ccccc1)C)c1ccccc1
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.153g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.392g/mol
Monoisotopic Mass:
314.153g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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