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Chemical ID: 5152373
Chemical ID:
5152373
Name [?]:
tributyl-methyl-ammonium
SMILES [?]:
CCCC[N+](C)(CCCC)CCCC
InChi [?]:
InChI=1/C13H30N/c1-5-8-11-14(4,12-9-6-2)13-10-7-3/h5-13H2,1-4H3/q+1
InChi Info:
AuxInfo=1/0/N:1,10,14,6,2,9,13,3,8,12,4,7,11,5/E:(1,2,3)(5,6,7)(8,9,10)(11,12,13)/CRV:14+1/rA:14nCCCCN+CCCCCCCCC/rB:s1;s2;s3;s4;s5;s5;s7;s8;s9;s5;s11;s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H30N+ |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -15.7216 |
Area: | 433.364 |
Solvation: | -26.5557 |
Coulombic: | 20.7762 |
Bond Count [?]
All: | 13 |
Single: | 13 |
Double: | 0 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 200.384 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.84 |
LogP (Chemaxon): | -0.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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