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Home > Aldehydes > 131814-01-2
131814-01-2 | Benzaldehyde, 4-(dihexadecylamino)-
CAS No: 131814-01-2 Catalog No: AG000ZSB MDL No:
Product Description
Catalog Number:
AG000ZSB
Chemical Name:
Benzaldehyde, 4-(dihexadecylamino)-
CAS Number:
131814-01-2
Molecular Formula:
C39H71NO
Molecular Weight:
569.9871
IUPAC Name:
4-(dihexadecylamino)benzaldehyde
InChI:
InChI=1S/C39H71NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35-40(39-33-31-38(37-41)32-34-39)36-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-34,37H,3-30,35-36H2,1-2H3
InChI Key:
LTAAWGZZJHQGPY-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCN(c1ccc(cc1)C=O)CCCCCCCCCCCCCCCC
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
569.554g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
570.003g/mol
Monoisotopic Mass:
569.554g/mol
Rotatable Bond Count:
32
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
17
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