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Chemical ID: 6503374
Chemical ID:
6503374
Name [?]:
1,4-ditert-butylpiperazine-2,5-dione
SMILES [?]:
CC(C)(C)N1CC(=O)N(CC1=O)C(C)(C)C
InChi [?]:
InChI=1/C12H22N2O2/c1-11(2,3)13-7-10(16)14(8-9(13)15)12(4,5)6/h7-8H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,4,14,15,16,6,10,11,7,2,13,5,9,12,8/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:16nCCCCNCCONCCOCCCC/rB:s1;s2;s2;s2;s5;s6;d7;s7;s9;s5s10;d11;s9;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H22N2O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.77121 |
Area: | 391.869 |
Solvation: | -2.02551 |
Coulombic: | -33.0304 |
Bond Count [?]
All: | 16 |
Single: | 14 |
Double: | 2 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 226.315 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.23 |
LogP (Chemaxon): | 0.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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