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139137-71-6 | Ethanediamide, N1,N2-bis(4-hexylphenyl)-
CAS No: 139137-71-6 Catalog No: AG001AD6 MDL No:
Product Description
Catalog Number:
AG001AD6
Chemical Name:
Ethanediamide, N1,N2-bis(4-hexylphenyl)-
CAS Number:
139137-71-6
Molecular Formula:
C26H36N2O2
Molecular Weight:
408.5762
IUPAC Name:
N,N'-bis(4-hexylphenyl)oxamide
InChI:
InChI=1S/C26H36N2O2/c1-3-5-7-9-11-21-13-17-23(18-14-21)27-25(29)26(30)28-24-19-15-22(16-20-24)12-10-8-6-4-2/h13-20H,3-12H2,1-2H3,(H,27,29)(H,28,30)
InChI Key:
XYAGATSLZDAROH-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccc(cc1)NC(=O)C(=O)Nc1ccc(cc1)CCCCCC
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.278g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
408.586g/mol
Monoisotopic Mass:
408.278g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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