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Home > Other Heterocycles > 119017-39-9
119017-39-9 | 4,7,13,16,22-Pentaoxa-1,10-diazabicyclo[8.8.7]pentacosane (9CI)
CAS No: 119017-39-9 Catalog No: AG000P1U MDL No:
Product Description
Catalog Number:
AG000P1U
Chemical Name:
4,7,13,16,22-Pentaoxa-1,10-diazabicyclo[8.8.7]pentacosane (9CI)
CAS Number:
119017-39-9
Molecular Formula:
C18H36N2O5
Molecular Weight:
360.4888
IUPAC Name:
4,7,13,16,22-pentaoxa-1,10-diazabicyclo[8.8.7]pentacosane
InChI:
InChI=1S/C18H36N2O5/c1-3-19-5-11-22-15-17-24-13-7-20(4-2-10-21-9-1)8-14-25-18-16-23-12-6-19/h1-18H2
InChI Key:
PZLLSDKIBVWMHW-UHFFFAOYSA-N
SMILES:
O1CCCN2CCOCCOCCN(CCC1)CCOCCOCC2
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.262g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.495g/mol
Monoisotopic Mass:
360.262g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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