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801289-29-2 | 1,3-Propanediol, 2-amino-2-[2-[4-[(11-fluoroundecyl)oxy]phenyl]ethyl]-
CAS No: 801289-29-2 Catalog No: AG005D8G MDL No:
Product Description
Catalog Number:
AG005D8G
Chemical Name:
1,3-Propanediol, 2-amino-2-[2-[4-[(11-fluoroundecyl)oxy]phenyl]ethyl]-
CAS Number:
801289-29-2
Molecular Formula:
C22H38FNO3
Molecular Weight:
383.5404
IUPAC Name:
2-amino-2-[2-[4-(11-fluoroundecoxy)phenyl]ethyl]propane-1,3-diol
InChI:
InChI=1S/C22H38FNO3/c23-16-8-6-4-2-1-3-5-7-9-17-27-21-12-10-20(11-13-21)14-15-22(24,18-25)19-26/h10-13,25-26H,1-9,14-19,24H2
InChI Key:
QLXIAGPFTWMWNV-UHFFFAOYSA-N
SMILES:
FCCCCCCCCCCCOc1ccc(cc1)CCC(CO)(CO)N
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.284g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
383.548g/mol
Monoisotopic Mass:
383.284g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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