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120654-40-2 | Benzaldehyde, 4-[bis[6-(acetyloxy)hexyl]amino]-
CAS No: 120654-40-2 Catalog No: AG007POV MDL No:
Product Description
Catalog Number:
AG007POV
Chemical Name:
Benzaldehyde, 4-[bis[6-(acetyloxy)hexyl]amino]-
CAS Number:
120654-40-2
Molecular Formula:
C23H35NO5
Molecular Weight:
405.5277
IUPAC Name:
6-[N-(6-acetyloxyhexyl)-4-formylanilino]hexyl acetate
InChI:
InChI=1S/C23H35NO5/c1-20(26)28-17-9-5-3-7-15-24(23-13-11-22(19-25)12-14-23)16-8-4-6-10-18-29-21(2)27/h11-14,19H,3-10,15-18H2,1-2H3
InChI Key:
YRZHEORNJQYMFM-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)N(CCCCCCOC(=O)C)CCCCCCOC(=O)C
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.252g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
405.535g/mol
Monoisotopic Mass:
405.252g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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