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100330-77-6 | 1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane, 7,16-didodecyl-
CAS No: 100330-77-6 Catalog No: AG0001N9 MDL No:
Product Description
Catalog Number:
AG0001N9
Chemical Name:
1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane, 7,16-didodecyl-
CAS Number:
100330-77-6
Molecular Formula:
C36H74N2O4
Molecular Weight:
598.9838
IUPAC Name:
7,16-didodecyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
InChI:
InChI=1S/C36H74N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-37-25-29-39-33-35-41-31-27-38(28-32-42-36-34-40-30-26-37)24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
InChI Key:
FMQANVLYPUOEDO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCN1CCOCCOCCN(CCOCCOCC1)CCCCCCCCCCCC
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
598.565g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
598.998g/mol
Monoisotopic Mass:
598.565g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.7
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