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Chemical ID: 4554032
Chemical ID:
4554032
Name [?]:
tributylammonium
SMILES [?]:
CCCC[NH+](CCCC)CCCC
InChi [?]:
InChI=1/C12H27N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3/p+1
InChi Info:
AuxInfo=1/1/N:1,9,13,2,8,12,3,7,11,4,6,10,5/E:(1,2,3)(4,5,6)(7,8,9)(10,11,12)/rA:13nCCCCN+CCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;s10;s11;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H28N+ |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -18.2648 |
Area: | 429.845 |
Solvation: | -29.0109 |
Coulombic: | 25.682 |
Bond Count [?]
All: | 12 |
Single: | 12 |
Double: | 0 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 186.357 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.11 |
LogP (Chemaxon): | 3.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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