Chemical ID: 4554032

CCCC[NH+](CCCC)CCCC
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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