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Chemical ID: 6530446
Chemical ID:
6530446
Name [?]:
tris(2-hexoxyethyl)-methyl-ammonium
SMILES [?]:
CCCCCCOCC[N+](C)(CCOCCCCCC)CCOCCCCCC
InChi [?]:
InChI=1/C25H54NO3/c1-5-8-11-14-20-27-23-17-26(4,18-24-28-21-15-12-9-6-2)19-25-29-22-16-13-10-7-3/h5-25H2,1-4H3/q+1
InChi Info:
AuxInfo=1/0/N:1,20,29,11,2,19,28,3,18,27,4,17,26,5,16,25,9,12,21,6,15,24,8,13,22,10,7,14,23/E:(1,2,3)(5,6,7)(8,9,10)(11,12,13)(14,15,16)(17,18,19)(20,21,22)(23,24,25)(27,28,29)/CRV:26+1/rA:29nCCCCCCOCCN+CCCOCCCCCCCCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s10;s12;s13;s14;s15;s16;s17;s18;s19;s10;s21;s22;s23;s24;s25;s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H54NO3+ |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -7.12572 |
Area: | 791.814 |
Solvation: | -26.9211 |
Coulombic: | -8.22628 |
Bond Count [?]
All: | 28 |
Single: | 28 |
Double: | 0 |
Rotors: | 24 |
Chiral: | 0 |
Rigid Segments: | 13 |
Chemical Properties
Molecular Weight: | 416.701 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.68 |
LogP (Chemaxon): | 1.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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