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149591-38-8 | Propanediamide, N1,N3-dihexadecyl-N1,N3-bis(2-hydroxyethyl)-
CAS No: 149591-38-8 Catalog No: AG001LUW MDL No:
Product Description
Catalog Number:
AG001LUW
Chemical Name:
Propanediamide, N1,N3-dihexadecyl-N1,N3-bis(2-hydroxyethyl)-
CAS Number:
149591-38-8
Molecular Formula:
C39H78N2O4
Molecular Weight:
639.0476
IUPAC Name:
N'-(2,2-dihydroxyethyl)-N,N'-dihexadecylpropanediamide
InChI:
InChI=1S/C37H74N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38-35(40)33-36(41)39(34-37(42)43)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,42-43H,3-34H2,1-2H3,(H,38,40)
InChI Key:
CQZOUFLZOOXAML-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCN(C(=O)CC(=O)N(CCCCCCCCCCCCCCCC)CCO)CCO
Properties
Complexity:
599
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
610.565g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
611.009g/mol
Monoisotopic Mass:
610.565g/mol
Rotatable Bond Count:
34
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.5
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