Structure Database (LMSD)
Common Name
Butyrylcholine
Systematic Name
[2-(butanoyloxy)ethyl]trimethylazanium
Synonyms
3D model of Butyrylcholine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
YRIBGSCJIMXMPJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H20NO2/c1-5-6-9(11)12-8-7-10(2,3)4/h5-8H2,1-4H3/q+1
SMILES (Click to copy)
[N+](C)(C)(C)CCOC(=O)CCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
191.52
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
3
logP
1.61
Molar Refractivity
49.75
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Created at
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Updated at
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