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7509-34-4 | N-OCTADECYL-N-[4-(2-QUINOLIN-4-YLETHENYL)PHENYL]OCTADECAN-1-AMINE
CAS No: 7509-34-4 Catalog No: AG0056LZ MDL No:
Product Description
Catalog Number:
AG0056LZ
Chemical Name:
N-OCTADECYL-N-[4-(2-QUINOLIN-4-YLETHENYL)PHENYL]OCTADECAN-1-AMINE
CAS Number:
7509-34-4
Molecular Formula:
C53H86N2
Molecular Weight:
751.2633
IUPAC Name:
N,N-dioctadecyl-4-(2-quinolin-4-ylethenyl)aniline
InChI:
InChI=1S/C53H86N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-47-55(48-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)51-43-40-49(41-44-51)39-42-50-45-46-54-53-38-34-33-37-52(50)53/h33-34,37-46H,3-32,35-36,47-48H2,1-2H3
InChI Key:
JFBNLXJTKRRBGG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCN(c1ccc(cc1)C=Cc1ccnc2c1cccc2)CCCCCCCCCCCCCCCCCC
Properties
Complexity:
792
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
750.679g/mol
Formal Charge:
0
Heavy Atom Count:
55
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
751.285g/mol
Monoisotopic Mass:
750.679g/mol
Rotatable Bond Count:
37
Topological Polar Surface Area:
16.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
22.2
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