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137992-37-1 | Hexanoic acid, 2-ethyl-, 18-(dimethylamino)octadecyl ester
CAS No: 137992-37-1 Catalog No: AG0017SO MDL No:
Product Description
Catalog Number:
AG0017SO
Chemical Name:
Hexanoic acid, 2-ethyl-, 18-(dimethylamino)octadecyl ester
CAS Number:
137992-37-1
Molecular Formula:
C28H57NO2
Molecular Weight:
439.7577
IUPAC Name:
18-(dimethylamino)octadecyl 2-ethylhexanoate
InChI:
InChI=1S/C28H57NO2/c1-5-7-24-27(6-2)28(30)31-26-23-21-19-17-15-13-11-9-8-10-12-14-16-18-20-22-25-29(3)4/h27H,5-26H2,1-4H3
InChI Key:
JIVAJFNHAWAJAL-UHFFFAOYSA-N
SMILES:
CCCCC(C(=O)OCCCCCCCCCCCCCCCCCCN(C)C)CC
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.439g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
439.769g/mol
Monoisotopic Mass:
439.439g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
10.9
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