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100330-78-7 | 1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane, 7,16-dioctadecyl-
CAS No: 100330-78-7 Catalog No: AG0001N8 MDL No:
Product Description
Catalog Number:
AG0001N8
Chemical Name:
1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane, 7,16-dioctadecyl-
CAS Number:
100330-78-7
Molecular Formula:
C48H98N2O4
Molecular Weight:
767.3027
IUPAC Name:
7,16-dioctadecyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
InChI:
InChI=1S/C48H98N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-49-37-41-51-45-47-53-43-39-50(40-44-54-48-46-52-42-38-49)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-48H2,1-2H3
InChI Key:
XHAWMMHSNFOLFV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCN1CCOCCOCCN(CCOCCOCC1)CCCCCCCCCCCCCCCCCC
Properties
Complexity:
607
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
766.753g/mol
Formal Charge:
0
Heavy Atom Count:
54
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
767.322g/mol
Monoisotopic Mass:
766.753g/mol
Rotatable Bond Count:
34
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
17.2
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