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Home > Other Heterocycles > 89863-13-8
89863-13-8 | 6,14,17,22,25-Pentaoxa-1,3,9,11-tetraazabicyclo[9.8.8]heptacosane-2,10-dione, 3,9-dimethyl-
CAS No: 89863-13-8 Catalog No: AG003WHR MDL No:
Product Description
Catalog Number:
AG003WHR
Chemical Name:
6,14,17,22,25-Pentaoxa-1,3,9,11-tetraazabicyclo[9.8.8]heptacosane-2,10-dione, 3,9-dimethyl-
CAS Number:
89863-13-8
Molecular Formula:
C20H38N4O7
Molecular Weight:
446.5383
IUPAC Name:
3,9-dimethyl-6,14,17,22,25-pentaoxa-1,3,9,11-tetrazabicyclo[9.8.8]heptacosane-2,10-dione
InChI:
InChI=1S/C20H38N4O7/c1-21-3-9-27-10-4-22(2)20(26)24-7-13-30-17-15-28-11-5-23(19(21)25)6-12-29-16-18-31-14-8-24/h3-18H2,1-2H3
InChI Key:
CCGQSJDPZXRZOL-UHFFFAOYSA-N
SMILES:
CN1CCOCCN(C)C(=O)N2CCOCCOCCN(C1=O)CCOCCOCC2
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.274g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
446.545g/mol
Monoisotopic Mass:
446.274g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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