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Chemical ID: 6349364
Chemical ID:
6349364
Name [?]:
4-dibutylamino-4-oxo-butanoic acid
SMILES [?]:
CCCCN(CCCC)C(=O)CCC(=O)O
InChi [?]:
InChI=1/C12H23NO3/c1-3-5-9-13(10-6-4-2)11(14)7-8-12(15)16/h3-10H2,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,9,2,8,3,7,12,13,4,6,10,14,5,11,15,16/E:(1,2)(3,4)(5,6)(9,10)(15,16)/rA:16nCCCCNCCCCCOCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;s10;s12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H23NO3 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.16301 |
Area: | 465.75 |
Solvation: | -2.48074 |
Coulombic: | -41.9032 |
Bond Count [?]
All: | 15 |
Single: | 13 |
Double: | 2 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 229.316 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.92 |
LogP (Chemaxon): | 1.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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