Chemical ID: 5152373

CCCC[N+](C)(CCCC)CCCC
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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