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Home > Other Heterocycles > 119017-40-2
119017-40-2 | 5,8,11,18,21,26,29-Heptaoxa-1,15-diazabicyclo[13.8.8]hentriacontane (9CI)
CAS No: 119017-40-2 Catalog No: AG000P1T MDL No:
Product Description
Catalog Number:
AG000P1T
Chemical Name:
5,8,11,18,21,26,29-Heptaoxa-1,15-diazabicyclo[13.8.8]hentriacontane (9CI)
CAS Number:
119017-40-2
Molecular Formula:
C22H44N2O7
Molecular Weight:
448.5940
IUPAC Name:
5,8,11,18,21,26,29-heptaoxa-1,15-diazabicyclo[13.8.8]hentriacontane
InChI:
InChI=1S/C22H44N2O7/c1-3-23-5-11-27-17-19-29-13-7-24(8-14-30-20-18-28-12-6-23)4-2-10-26-16-22-31-21-15-25-9-1/h1-22H2
InChI Key:
UFCGLJWVVZPLKO-UHFFFAOYSA-N
SMILES:
O1CCOCCCN2CCOCCOCCN(CCCOCC1)CCOCCOCC2
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.315g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
448.601g/mol
Monoisotopic Mass:
448.315g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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