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156970-79-5 | 1,4,7,10-Tetraazacyclododecane, 1,7-bis(phenylmethyl)-
CAS No: 156970-79-5 Catalog No: AG001P4U MDL No:
Product Description
Catalog Number:
AG001P4U
Chemical Name:
1,4,7,10-Tetraazacyclododecane, 1,7-bis(phenylmethyl)-
CAS Number:
156970-79-5
Molecular Formula:
C22H32N4
Molecular Weight:
352.5163
IUPAC Name:
1,7-dibenzyl-1,4,7,10-tetrazacyclododecane
InChI:
InChI=1S/C22H32N4/c1-3-7-21(8-4-1)19-25-15-11-23-13-17-26(18-14-24-12-16-25)20-22-9-5-2-6-10-22/h1-10,23-24H,11-20H2
InChI Key:
CLXIHHGLHPVIIQ-UHFFFAOYSA-N
SMILES:
N1CCN(CCNCCN(CC1)Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.263g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
352.526g/mol
Monoisotopic Mass:
352.263g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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