RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0139075
RefMet name3-(Dimethylamino)propyl benzoate
Systematic name3-(dimethylamino)propyl benzoate
SynonymsPubChem Synonyms
Exact mass207.125929 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC12H17NO2View other entries in RefMet with this formula
Molecular descriptors
Molfile54965 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C12H17NO2/c1-13(2)9-6-10-15-12(14)11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3
InChIKeyHYFRSDYVPRIFOE-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCN(C)CCCOC(=O)c1ccccc1
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassBenzenoids
Main ClassBenzenes
Sub ClassBenzoic acids
Distribution of 3-(Dimethylamino)propyl benzoate in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting 3-(Dimethylamino)propyl benzoate
External Links
Pubchem CID2249229
ChEBI ID34327
KEGG IDC14168
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo