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137995-34-7 | Benzamide, 4-[2,2-dicyano-1-(cyanomethyl)ethenyl]-N,N-dioctyl-
CAS No: 137995-34-7 Catalog No: AG0017SF MDL No:
Product Description
Catalog Number:
AG0017SF
Chemical Name:
Benzamide, 4-[2,2-dicyano-1-(cyanomethyl)ethenyl]-N,N-dioctyl-
CAS Number:
137995-34-7
Molecular Formula:
C29H40N4O
Molecular Weight:
460.6541
IUPAC Name:
N,N-dioctyl-4-(1,1,3-tricyanoprop-1-en-2-yl)benzamide
InChI:
InChI=1S/C29H40N4O/c1-3-5-7-9-11-13-21-33(22-14-12-10-8-6-4-2)29(34)26-17-15-25(16-18-26)28(19-20-30)27(23-31)24-32/h15-18H,3-14,19,21-22H2,1-2H3
InChI Key:
RXPPARODGVPMLG-UHFFFAOYSA-N
SMILES:
CCCCCCCCN(C(=O)c1ccc(cc1)C(=C(C#N)C#N)CC#N)CCCCCCCC
Properties
Complexity:
730
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.32g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
460.666g/mol
Monoisotopic Mass:
460.32g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2
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