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127358-77-4 | Octadecanoic acid, compd. with N-[3-(dimethylamino)propyl]octadecanamide (1:1)
CAS No: 127358-77-4 Catalog No: AG000WYS MDL No:
Product Description
Catalog Number:
AG000WYS
Chemical Name:
Octadecanoic acid, compd. with N-[3-(dimethylamino)propyl]octadecanamide (1:1)
CAS Number:
127358-77-4
Molecular Formula:
C41H84N2O3
Molecular Weight:
653.1173
IUPAC Name:
N-[3-(dimethylamino)propyl]octadecanamide;octadecanoic acid
InChI:
InChI=1S/C23H48N2O.C18H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-22H2,1-3H3,(H,24,26);2-17H2,1H3,(H,19,20)
InChI Key:
HLWKZENPCZEPLJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C
UNII:
MP84D73N0X
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
652.648g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
653.134g/mol
Monoisotopic Mass:
652.648g/mol
Rotatable Bond Count:
36
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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