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1506-45-2 | 2,6-Piperazinedione, 4,4'-(1,2-cyclohexanediyl)bis-
CAS No: 1506-45-2 Catalog No: AG001MR7 MDL No:
Product Description
Catalog Number:
AG001MR7
Chemical Name:
2,6-Piperazinedione, 4,4'-(1,2-cyclohexanediyl)bis-
CAS Number:
1506-45-2
Molecular Formula:
C14H20N4O4
Molecular Weight:
308.3330
IUPAC Name:
4-[2-(3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione
InChI:
InChI=1S/C14H20N4O4/c19-11-5-17(6-12(20)15-11)9-3-1-2-4-10(9)18-7-13(21)16-14(22)8-18/h9-10H,1-8H2,(H,15,19,20)(H,16,21,22)
InChI Key:
NFOMSYBJOILKIS-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)CN(C1)C1CCCCC1N1CC(=O)NC(=O)C1
NSC Number:
134695
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.148g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
308.338g/mol
Monoisotopic Mass:
308.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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