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125804-04-8 | Docosanoic acid, compd. with N-[3-(dimethylamino)propyl]docosanamide (1:1)
CAS No: 125804-04-8 Catalog No: AG000OSJ MDL No:
Product Description
Catalog Number:
AG000OSJ
Chemical Name:
Docosanoic acid, compd. with N-[3-(dimethylamino)propyl]docosanamide (1:1)
CAS Number:
125804-04-8
Molecular Formula:
C49H100N2O3
Molecular Weight:
765.3299
IUPAC Name:
N-[3-(dimethylamino)propyl]docosanamide;docosanoic acid
InChI:
InChI=1S/C27H56N2O.C22H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(30)28-25-23-26-29(2)3;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h4-26H2,1-3H3,(H,28,30);2-21H2,1H3,(H,23,24)
InChI Key:
NDGKBIRTNHDYCM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C
UNII:
96T33VV28E
Properties
Complexity:
594
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
764.773g/mol
Formal Charge:
0
Heavy Atom Count:
54
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
765.35g/mol
Monoisotopic Mass:
764.773g/mol
Rotatable Bond Count:
44
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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