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113394-06-2 | Octadecanoic acid, 18-(dimethylamino)-
CAS No: 113394-06-2 Catalog No: AG0008EE MDL No:
Product Description
Catalog Number:
AG0008EE
Chemical Name:
Octadecanoic acid, 18-(dimethylamino)-
CAS Number:
113394-06-2
Molecular Formula:
C20H41NO2
Molecular Weight:
327.5450
IUPAC Name:
18-(dimethylamino)octadecanoic acid
InChI:
InChI=1S/C20H41NO2/c1-21(2)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h3-19H2,1-2H3,(H,22,23)
InChI Key:
UPUWUGHOSFGDQC-UHFFFAOYSA-N
SMILES:
CN(CCCCCCCCCCCCCCCCCC(=O)O)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.314g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.553g/mol
Monoisotopic Mass:
327.314g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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