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820251-57-8 | Hexanediamide, 3-(1,1-dimethylethyl)-N,N,N',N'-tetrakis(2-ethylhexyl)-
CAS No: 820251-57-8 Catalog No: AG004XJ9 MDL No:
Product Description
Catalog Number:
AG004XJ9
Chemical Name:
Hexanediamide, 3-(1,1-dimethylethyl)-N,N,N',N'-tetrakis(2-ethylhexyl)-
CAS Number:
820251-57-8
Molecular Formula:
C42H84N2O2
Molecular Weight:
649.1286
IUPAC Name:
3-tert-butyl-N,N,N',N'-tetrakis(2-ethylhexyl)hexanediamide
InChI:
InChI=1S/C42H84N2O2/c1-12-20-24-35(16-5)31-43(32-36(17-6)25-21-13-2)40(45)29-28-39(42(9,10)11)30-41(46)44(33-37(18-7)26-22-14-3)34-38(19-8)27-23-15-4/h35-39H,12-34H2,1-11H3
InChI Key:
AFRMWIPEOIWRQC-UHFFFAOYSA-N
SMILES:
CCCCC(CN(C(=O)CCC(C(C)(C)C)CC(=O)N(CC(CCCC)CC)CC(CCCC)CC)CC(CCCC)CC)CC
Properties
Complexity:
708
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
648.653g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
649.146g/mol
Monoisotopic Mass:
648.653g/mol
Rotatable Bond Count:
30
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
13.9
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