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70476-23-2 | Hexadecanoic acid, 2-[hexadecyl(2-hydroxyethyl)amino]ethyl ester
CAS No: 70476-23-2 Catalog No: AG005IKH MDL No:
Product Description
Catalog Number:
AG005IKH
Chemical Name:
Hexadecanoic acid, 2-[hexadecyl(2-hydroxyethyl)amino]ethyl ester
CAS Number:
70476-23-2
Molecular Formula:
C36H73NO3
Molecular Weight:
567.9697
IUPAC Name:
2-[hexadecyl(2-hydroxyethyl)amino]ethyl hexadecanoate
InChI:
InChI=1S/C36H73NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37(32-34-38)33-35-40-36(39)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38H,3-35H2,1-2H3
InChI Key:
NCKRTNVOXUIHFY-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCN(CCOC(=O)CCCCCCCCCCCCCCC)CCO
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
567.559g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
567.984g/mol
Monoisotopic Mass:
567.559g/mol
Rotatable Bond Count:
35
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.5
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