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Chemical ID: 5007531
Chemical ID:
5007531
Name [?]:
2-dibutylaminoacetic acid
SMILES [?]:
CCCCN(CCCC)CC(=O)O
InChi [?]:
InChI=1/C10H21NO2/c1-3-5-7-11(8-6-4-2)9-10(12)13/h3-9H2,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,9,2,8,3,7,4,6,10,11,5,12,13/E:(1,2)(3,4)(5,6)(7,8)(12,13)/rA:13nCCCCNCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;s10;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H21NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.9955 |
Area: | 406.348 |
Solvation: | -2.16321 |
Coulombic: | -32.6536 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 1 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 187.279 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.15 |
LogP (Chemaxon): | -0.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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