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33941-15-0 | 1,4,7,10,13-Pentaoxa-16-azacyclooctadecane
CAS No: 33941-15-0 Catalog No: AG003DLR MDL No:MFCD00075466
Product Description
Catalog Number:
AG003DLR
Chemical Name:
1,4,7,10,13-Pentaoxa-16-azacyclooctadecane
CAS Number:
33941-15-0
Molecular Formula:
C12H25NO5
Molecular Weight:
263.3306
MDL Number:
MFCD00075466
IUPAC Name:
1,4,7,10,13-pentaoxa-16-azacyclooctadecane
InChI:
InChI=1S/C12H25NO5/c1-3-14-5-7-16-9-11-18-12-10-17-8-6-15-4-2-13-1/h13H,1-12H2
InChI Key:
NBXKUSNBCPPKRA-UHFFFAOYSA-N
SMILES:
N1CCOCCOCCOCCOCCOCC1
EC Number:
251-751-8
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.173g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.334g/mol
Monoisotopic Mass:
263.173g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
Literature
| Title | Journal |
|---|---|
| Could LogP be a principal determinant of biological activity in 18-crown-6 ethers? Synthesis of biologically active adamantane-substituted diaza-crowns. | European journal of medicinal chemistry 20110801 |
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