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Home > Other Heterocycles > 89863-14-9
89863-14-9 | 6,9,17,20,25,28-Hexaoxa-1,3,12,14-tetraazabicyclo[12.8.8]triacontane-2,13-dione, 3,12-dimethyl-
CAS No: 89863-14-9 Catalog No: AG003W32 MDL No:
Product Description
Catalog Number:
AG003W32
Chemical Name:
6,9,17,20,25,28-Hexaoxa-1,3,12,14-tetraazabicyclo[12.8.8]triacontane-2,13-dione, 3,12-dimethyl-
CAS Number:
89863-14-9
Molecular Formula:
C22H42N4O8
Molecular Weight:
490.5909
IUPAC Name:
3,12-dimethyl-6,9,17,20,25,28-hexaoxa-1,3,12,14-tetrazabicyclo[12.8.8]triacontane-2,13-dione
InChI:
InChI=1S/C22H42N4O8/c1-23-3-9-29-15-16-30-10-4-24(2)22(28)26-7-13-33-19-17-31-11-5-25(21(23)27)6-12-32-18-20-34-14-8-26/h3-20H2,1-2H3
InChI Key:
JVCPYCJJSBIAKL-UHFFFAOYSA-N
SMILES:
CN1CCOCCOCCN(C)C(=O)N2CCOCCOCCN(C1=O)CCOCCOCC2
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
490.3g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
490.598g/mol
Monoisotopic Mass:
490.3g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
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