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Chemical ID: 5606617
Chemical ID:
5606617
Name [?]:
2,3-dihydroxy-N,N,N',N'-tetramethyl-butanediamide
SMILES [?]:
CN(C)C(=O)C(C(C(=O)N(C)C)O)O
InChi [?]:
InChI=1/C8H16N2O4/c1-9(2)7(13)5(11)6(12)8(14)10(3)4/h5-6,11-12H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,11,12,6,7,4,8,2,10,14,13,5,9/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:14cCNCCOCCCONCCOO/rB:s1;s2;s2;d4;s4;s6;s7;d8;s8;s10;s10;s7;s6;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H16N2O4 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 4.68745 |
Area: | 351.906 |
Solvation: | -4.11021 |
Coulombic: | -66.4434 |
Bond Count [?]
All: | 13 |
Single: | 11 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 204.224 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | -2.37 |
LogP (Chemaxon): | -1.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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