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821789-50-8 | Benzaldehyde, 4-[bis(2-ethylhexyl)amino]-
CAS No: 821789-50-8 Catalog No: AG005I68 MDL No:
Product Description
Catalog Number:
AG005I68
Chemical Name:
Benzaldehyde, 4-[bis(2-ethylhexyl)amino]-
CAS Number:
821789-50-8
Molecular Formula:
C23H39NO
Molecular Weight:
345.5619
IUPAC Name:
4-[bis(2-ethylhexyl)amino]benzaldehyde
InChI:
InChI=1S/C23H39NO/c1-5-9-11-20(7-3)17-24(18-21(8-4)12-10-6-2)23-15-13-22(19-25)14-16-23/h13-16,19-21H,5-12,17-18H2,1-4H3
InChI Key:
LFQJIBPFSJMYRI-UHFFFAOYSA-N
SMILES:
CCCCC(CN(c1ccc(cc1)C=O)CC(CCCC)CC)CC
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.303g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.571g/mol
Monoisotopic Mass:
345.303g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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