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90133-80-5 | Benzaldehyde, 4-(dihexylamino)-
CAS No: 90133-80-5 Catalog No: AG006IV4 MDL No:
Product Description
Catalog Number:
AG006IV4
Chemical Name:
Benzaldehyde, 4-(dihexylamino)-
CAS Number:
90133-80-5
Molecular Formula:
C19H31NO
Molecular Weight:
289.4555
IUPAC Name:
4-(dihexylamino)benzaldehyde
InChI:
InChI=1S/C19H31NO/c1-3-5-7-9-15-20(16-10-8-6-4-2)19-13-11-18(17-21)12-14-19/h11-14,17H,3-10,15-16H2,1-2H3
InChI Key:
UKTWAOCWPWUTHP-UHFFFAOYSA-N
SMILES:
CCCCCCN(c1ccc(cc1)C=O)CCCCCC
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.241g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.463g/mol
Monoisotopic Mass:
289.241g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
Literature
| Title | Journal |
|---|---|
| N,N-Dihexyl-4-[2-(4-nitro-phen-yl)vin-yl]aniline. | Acta crystallographica. Section E, Structure reports online 20110601 |
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