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Chemical ID: 5578662
Chemical ID:
5578662
Name [?]:
(2-hydroxy-1-methyl-2-phenyl-ethyl)-dimethyl-ammonium
SMILES [?]:
CC(C(c1ccccc1)O)[NH+](C)C
InChi [?]:
InChI=1/C11H17NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3/p+1
InChi Info:
AuxInfo=1/1/N:1,12,13,7,6,8,5,9,2,4,3,11,10/E:(2,3)(5,6)(7,8)/rA:13cCCCCCCCCCON+CC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;s2;s11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H18NO+ |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | -22.7362 |
Area: | 354.961 |
Solvation: | -31.6102 |
Coulombic: | 11.0449 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 180.267 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.63 |
LogP (Chemaxon): | 1.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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