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89784-31-6 | Octadecanoic acid, 2-[hexadecyl(2-hydroxyethyl)amino]ethyl ester
CAS No: 89784-31-6 Catalog No: AG00405S MDL No:
Product Description
Catalog Number:
AG00405S
Chemical Name:
Octadecanoic acid, 2-[hexadecyl(2-hydroxyethyl)amino]ethyl ester
CAS Number:
89784-31-6
Molecular Formula:
C38H77NO3
Molecular Weight:
596.0229
IUPAC Name:
2-[hexadecyl(2-hydroxyethyl)amino]ethyl octadecanoate
InChI:
InChI=1S/C38H77NO3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-38(41)42-37-35-39(34-36-40)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h40H,3-37H2,1-2H3
InChI Key:
WQTBZQHBFAXYEA-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)OCCN(CCCCCCCCCCCCCCCC)CCO
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
595.59g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
596.038g/mol
Monoisotopic Mass:
595.59g/mol
Rotatable Bond Count:
37
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
15.6
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