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99892-22-5 | 1,4,7,10-Tetraazacyclododecane, 1,4,7-trimethyl-10-(methylsulfonyl)-
CAS No: 99892-22-5 Catalog No: AG003W0L MDL No:
Product Description
Catalog Number:
AG003W0L
Chemical Name:
1,4,7,10-Tetraazacyclododecane, 1,4,7-trimethyl-10-(methylsulfonyl)-
CAS Number:
99892-22-5
Molecular Formula:
C12H28N4O2S
Molecular Weight:
292.4413
IUPAC Name:
1,4,7-trimethyl-10-methylsulfonyl-1,4,7,10-tetrazacyclododecane
InChI:
InChI=1S/C12H28N4O2S/c1-13-5-7-14(2)9-11-16(19(4,17)18)12-10-15(3)8-6-13/h5-12H2,1-4H3
InChI Key:
NQMXZMCZRYTHPV-UHFFFAOYSA-N
SMILES:
CN1CCN(C)CCN(CCN(CC1)S(=O)(=O)C)C
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.193g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.442g/mol
Monoisotopic Mass:
292.193g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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