Chemical ID: 5578662

CC(C(c1ccccc1)O)[NH+](C)C
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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