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Chemical ID: 6686773
Chemical ID:
6686773
Name [?]:
tributyl-(6-tributylammoniohexyl)ammonium
SMILES [?]:
CCCC[N+](CCCC)(CCCC)CCCCCC[N+](CCCC)(CCCC)CCCC
InChi [?]:
InChI=1/C30H66N2/c1-7-13-23-31(24-14-8-2,25-15-9-3)29-21-19-20-22-30-32(26-16-10-4,27-17-11-5)28-18-12-6/h7-30H2,1-6H3/q+2
InChi Info:
AuxInfo=1/0/N:1,9,13,24,28,32,2,8,12,23,27,31,3,7,11,22,26,30,16,17,15,18,4,6,10,21,25,29,14,19,5,20/E:(1,2,3,4,5,6)(7,8,9,10,11,12)(13,14,15,16,17,18)(19,20)(21,22)(23,24,25,26,27,28)(29,30)(31,32)/CRV:31+1,32+1/rA:32nCCCCN+CCCCCCCCCCCCCCN+CCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;s10;s11;s12;s5;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s20;s25;s26;s27;s20;s29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H66N2+2 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -48.1684 |
Area: | 859.614 |
Solvation: | -69.6587 |
Coulombic: | 59.3005 |
Bond Count [?]
All: | 31 |
Single: | 31 |
Double: | 0 |
Rotors: | 25 |
Chiral: | 0 |
Rigid Segments: | 16 |
Chemical Properties
Molecular Weight: | 454.859 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.9 |
LogP (Chemaxon): | -0.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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