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138075-98-6 | Propanoic acid, 3-(ethylamino)-3-oxo-, hexadecyl ester
CAS No: 138075-98-6 Catalog No: AG0017YP MDL No:
Product Description
Catalog Number:
AG0017YP
Chemical Name:
Propanoic acid, 3-(ethylamino)-3-oxo-, hexadecyl ester
CAS Number:
138075-98-6
Molecular Formula:
C21H41NO3
Molecular Weight:
355.5551
IUPAC Name:
hexadecyl 3-(ethylamino)-3-oxopropanoate
InChI:
InChI=1S/C21H41NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-21(24)19-20(23)22-4-2/h3-19H2,1-2H3,(H,22,23)
InChI Key:
USXMJPDDGKUGQE-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCOC(=O)CC(=O)NCC
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.309g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.563g/mol
Monoisotopic Mass:
355.309g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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