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149419-10-3 | Docosanoic acid, 2-(dimethylamino)ethyl ester
CAS No: 149419-10-3 Catalog No: AG001LOW MDL No:
Product Description
Catalog Number:
AG001LOW
Chemical Name:
Docosanoic acid, 2-(dimethylamino)ethyl ester
CAS Number:
149419-10-3
Molecular Formula:
C26H53NO2
Molecular Weight:
411.7045
IUPAC Name:
2-(dimethylamino)ethyl docosanoate
InChI:
InChI=1S/C26H53NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(28)29-25-24-27(2)3/h4-25H2,1-3H3
InChI Key:
XCPQJEIBZVALGC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCC(=O)OCCN(C)C
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.408g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
411.715g/mol
Monoisotopic Mass:
411.408g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.7
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