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116670-14-5 | 1,4,7,10,13-Pentaazacyclohexadecane, 15-hexadecyl-
CAS No: 116670-14-5 Catalog No: AG000CY3 MDL No:
Product Description
Catalog Number:
AG000CY3
Chemical Name:
1,4,7,10,13-Pentaazacyclohexadecane, 15-hexadecyl-
CAS Number:
116670-14-5
Molecular Formula:
C27H59N5
Molecular Weight:
453.7909
IUPAC Name:
15-hexadecyl-1,4,7,10,13-pentazacyclohexadecane
InChI:
InChI=1S/C27H59N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-25-31-23-21-29-19-17-28-18-20-30-22-24-32-26-27/h27-32H,2-26H2,1H3
InChI Key:
SOEWJWGPEWGVMZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCC1CNCCNCCNCCNCCNC1
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
453.477g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
453.804g/mol
Monoisotopic Mass:
453.477g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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