Choline

ScientificNameLabel

Choline
PHCD compound ID :	1665
Chemical Names :	Choline
Molecular Formula :	C5H14N1O1
Molecular Weight :	104.107539

More Details :

Names & Synonyms:	2-hydroxyethyl(trimethyl)ammonium , 2-hydroxyethyl(trimethyl)azanium
Smiles:	OCC[N+](C)(C)C
InChi :	InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
InChi Key :	InChIKey=OEYIOHPDSNJKLS-UHFFFAOYSA-N
PubChem ID :	305

Rotatable bond count :	2	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	14.930270
Hydrogen bond donor count :	1	Electric dipole moment :	2.624
XLogP :	-0.837	VDW volume :	116.141598
Molecular weight :	104.107539	HOMO-LUMO gap :	11.039000

Herb list :

Colt's foot, Horse hoof - Tussilago farfara - پای خر

Refrences & Litretures:


188. Journal:'Journal of Pharmaceutical and Biomedical Analysis' Year:'2013' Volume:'75' Page:'158' DOI:'10.1016/j.jpba.2012.11.023' Title:'Metabolomic pro?ling of the antitussive and expectorant plant Tussilago farfara L. by nuclear magnetic resonance spectroscopy and multivariate data analysis'

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