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139495-33-3 | 1,7-Dioxa-4,10-diazacyclododecane, 4,10-bis(2-phenylethyl)-
CAS No: 139495-33-3 Catalog No: AG001B4I MDL No:
Product Description
Catalog Number:
AG001B4I
Chemical Name:
1,7-Dioxa-4,10-diazacyclododecane, 4,10-bis(2-phenylethyl)-
CAS Number:
139495-33-3
Molecular Formula:
C24H34N2O2
Molecular Weight:
382.5390
IUPAC Name:
4,10-bis(2-phenylethyl)-1,7-dioxa-4,10-diazacyclododecane
InChI:
InChI=1S/C24H34N2O2/c1-3-7-23(8-4-1)11-13-25-15-19-27-21-17-26(18-22-28-20-16-25)14-12-24-9-5-2-6-10-24/h1-10H,11-22H2
InChI Key:
GKHQKUUTOFPUSY-UHFFFAOYSA-N
SMILES:
O1CCN(CCc2ccccc2)CCOCCN(CC1)CCc1ccccc1
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.262g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.548g/mol
Monoisotopic Mass:
382.262g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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