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Chemical ID: 6334705
Chemical ID:
6334705
Name [?]:
trimethyl-(2-phenoxyethyl)ammonium
SMILES [?]:
C[N+](C)(C)CCOc1ccccc1
InChi [?]:
InChI=1/C11H18NO/c1-12(2,3)9-10-13-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3/q+1
InChi Info:
AuxInfo=1/0/N:1,3,4,11,10,12,9,13,5,6,8,2,7/E:(1,2,3)(5,6)(7,8)/CRV:12+1/rA:13nCN+CCCCOCCCCCC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;d8s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H18NO+ |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -19.8026 |
Area: | 356.557 |
Solvation: | -28.7165 |
Coulombic: | 14.2429 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 180.267 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 0.52 |
LogP (Chemaxon): | -2.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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