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128534-85-0 | 1,3-Benzenedicarboxamide, N1,N3-bis(12-hydroxyoctadecyl)-
CAS No: 128534-85-0 Catalog No: AG000Y6B MDL No:
Product Description
Catalog Number:
AG000Y6B
Chemical Name:
1,3-Benzenedicarboxamide, N1,N3-bis(12-hydroxyoctadecyl)-
CAS Number:
128534-85-0
Molecular Formula:
C44H80N2O4
Molecular Weight:
701.1170
IUPAC Name:
1-N,3-N-bis(12-hydroxyoctadecyl)benzene-1,3-dicarboxamide
InChI:
InChI=1S/C44H80N2O4/c1-3-5-7-23-32-41(47)34-25-19-15-11-9-13-17-21-27-36-45-43(49)39-30-29-31-40(38-39)44(50)46-37-28-22-18-14-10-12-16-20-26-35-42(48)33-24-8-6-4-2/h29-31,38,41-42,47-48H,3-28,32-37H2,1-2H3,(H,45,49)(H,46,50)
InChI Key:
QNDJPQXWHHQUJY-UHFFFAOYSA-N
SMILES:
CCCCCCC(CCCCCCCCCCCNC(=O)c1cccc(c1)C(=O)NCCCCCCCCCCCC(CCCCCC)O)O
Properties
Complexity:
702
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
700.612g/mol
Formal Charge:
0
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
701.134g/mol
Monoisotopic Mass:
700.612g/mol
Rotatable Bond Count:
36
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
14.3
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