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124398-55-6 | 1,4,8,11-Tetraazacyclotetradecane-5,7-dione, 6,6-dimethyl-
CAS No: 124398-55-6 Catalog No: AG000LYM MDL No:
Product Description
Catalog Number:
AG000LYM
Chemical Name:
1,4,8,11-Tetraazacyclotetradecane-5,7-dione, 6,6-dimethyl-
CAS Number:
124398-55-6
Molecular Formula:
C12H24N4O2
Molecular Weight:
256.3446
IUPAC Name:
6,6-dimethyl-1,4,8,11-tetrazacyclotetradecane-5,7-dione
InChI:
InChI=1S/C12H24N4O2/c1-12(2)10(17)15-8-6-13-4-3-5-14-7-9-16-11(12)18/h13-14H,3-9H2,1-2H3,(H,15,17)(H,16,18)
InChI Key:
KFYLBHRFEDVHBT-UHFFFAOYSA-N
SMILES:
O=C1NCCNCCCNCCNC(=O)C1(C)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.19g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
256.35g/mol
Monoisotopic Mass:
256.19g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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