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7498-22-8 | N,N-DIHEXYL-4-(2-(QUINOLIN-4-YL)VINYL)ANILINE
CAS No: 7498-22-8 Catalog No: AG005F1O MDL No:
Product Description
Catalog Number:
AG005F1O
Chemical Name:
N,N-DIHEXYL-4-(2-(QUINOLIN-4-YL)VINYL)ANILINE
CAS Number:
7498-22-8
Molecular Formula:
C29H38N2
Molecular Weight:
414.6254
IUPAC Name:
N,N-dihexyl-4-[(E)-2-quinolin-4-ylethenyl]aniline
InChI:
InChI=1S/C29H38N2/c1-3-5-7-11-23-31(24-12-8-6-4-2)27-19-16-25(17-20-27)15-18-26-21-22-30-29-14-10-9-13-28(26)29/h9-10,13-22H,3-8,11-12,23-24H2,1-2H3/b18-15+
InChI Key:
QEOUHOJWMJTMFX-OBGWFSINSA-N
SMILES:
CCCCCCN(c1ccc(cc1)C=Cc1ccnc2c1cccc2)CCCCCC
NSC Number:
407365
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
414.303g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.637g/mol
Monoisotopic Mass:
414.303g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
16.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3
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