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144003-26-9 | 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetonitrile
CAS No: 144003-26-9 Catalog No: AG001IRN MDL No:
Product Description
Catalog Number:
AG001IRN
Chemical Name:
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetonitrile
CAS Number:
144003-26-9
Molecular Formula:
C16H24N8
Molecular Weight:
328.4154
IUPAC Name:
2-[4,7,10-tris(cyanomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetonitrile
InChI:
InChI=1S/C16H24N8/c17-1-5-21-9-11-22(6-2-18)13-15-24(8-4-20)16-14-23(7-3-19)12-10-21/h5-16H2
InChI Key:
GCADYWACTRNALY-UHFFFAOYSA-N
SMILES:
N#CCN1CCN(CCN(CCN(CC1)CC#N)CC#N)CC#N
NSC Number:
674598
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.212g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.424g/mol
Monoisotopic Mass:
328.212g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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