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828276-41-1 | Benzonitrile, 4-[2-[4-(dimethylamino)phenyl]-1-methylene-2-propenyl]-
CAS No: 828276-41-1 Catalog No: AG004SOM MDL No:
Product Description
Catalog Number:
AG004SOM
Chemical Name:
Benzonitrile, 4-[2-[4-(dimethylamino)phenyl]-1-methylene-2-propenyl]-
CAS Number:
828276-41-1
Molecular Formula:
C19H18N2
Molecular Weight:
274.3596
IUPAC Name:
4-[3-[4-(dimethylamino)phenyl]buta-1,3-dien-2-yl]benzonitrile
InChI:
InChI=1S/C19H18N2/c1-14(17-7-5-16(13-20)6-8-17)15(2)18-9-11-19(12-10-18)21(3)4/h5-12H,1-2H2,3-4H3
InChI Key:
CVDOZIBBVCTIDF-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(=C)C(=C)c1ccc(cc1)N(C)C
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.147g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.367g/mol
Monoisotopic Mass:
274.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
Literature
| Title | Journal |
|---|---|
| Photoinduced charge separation in a donor-acceptor functionalized 2,3-diphenylbutadiene: charge transport over a doubly bifurcated pi-spacer. | Organic & biomolecular chemistry 20041207 |
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