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7509-33-3 | N-NONYL-N-[4-(2-(QUINOLIN-4-YL)VINYL)PHENYL]NONAN-1-AMINE
CAS No: 7509-33-3 Catalog No: AG005ECS MDL No:
Product Description
Catalog Number:
AG005ECS
Chemical Name:
N-NONYL-N-[4-(2-(QUINOLIN-4-YL)VINYL)PHENYL]NONAN-1-AMINE
CAS Number:
7509-33-3
Molecular Formula:
C35H50N2
Molecular Weight:
498.7849
IUPAC Name:
N,N-di(nonyl)-4-(2-quinolin-4-ylethenyl)aniline
InChI:
InChI=1S/C35H50N2/c1-3-5-7-9-11-13-17-29-37(30-18-14-12-10-8-6-4-2)33-25-22-31(23-26-33)21-24-32-27-28-36-35-20-16-15-19-34(32)35/h15-16,19-28H,3-14,17-18,29-30H2,1-2H3
InChI Key:
MQWFJHARXRSBOJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCN(c1ccc(cc1)C=Cc1ccnc2c1cccc2)CCCCCCCCC
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
498.397g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
498.799g/mol
Monoisotopic Mass:
498.397g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
16.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
12.5
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