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18084-64-5 | 1,4,7,10-Tetraazacyclododecane, 1,4,7,10-tetrakis(phenylmethyl)-
CAS No: 18084-64-5 Catalog No: AG0022E6 MDL No:MFCD05864401
Product Description
Catalog Number:
AG0022E6
Chemical Name:
1,4,7,10-Tetraazacyclododecane, 1,4,7,10-tetrakis(phenylmethyl)-
CAS Number:
18084-64-5
Molecular Formula:
C36H44N4
Molecular Weight:
532.7614
MDL Number:
MFCD05864401
IUPAC Name:
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
InChI:
InChI=1S/C36H44N4/c1-5-13-33(14-6-1)29-37-21-23-38(30-34-15-7-2-8-16-34)25-27-40(32-36-19-11-4-12-20-36)28-26-39(24-22-37)31-35-17-9-3-10-18-35/h1-20H,21-32H2
InChI Key:
VXOJKUWHCFFUCO-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1CCN(CCN(CCN(CC1)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1
EC Number:
449-410-5
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
532.357g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
532.776g/mol
Monoisotopic Mass:
532.357g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
13A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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