Elucaine
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Basic information
- CAS
25314-87-8- Standard SMILES
CCN(CC)CC(OC(=O)c1ccccc1)c1ccccc1- InChIKey
AVXDZNOJIVOGRR-UHFFFAOYSA-N- Molecular formula
- C19H23NO2
- Average molar mass
- 297.4 g/mol
- Monoisotopic mass
- 297.17287898
Names & identifiers
- Preferred name
- Elucaine
- IUPAC
- [2-(diethylamino)-1-phenylethyl] benzoate
- English name
- Elucaine
- Molecular formula
- C19H23NO2
- Molecular weight
- 297.396
Names & synonyms
Elucaine25314-87-8ElucainaElucaine [USAN:INN]ElucainumElucainum [INN-Latin]Elucaina [INN-Spanish]UNII-85EW9V00UL2-Diethylamino-1-phenylethyl benzoateElucaine (USAN)BRN 222082685EW9V00UL
Show more names
Elucaine USP/EP/BP2-(Diethylamino)-1-phenylethyl=benzoateBenzoic acid α-[(diethylamino)methyl]benzyl esterBenzeneMethanol, a-[(diethylaMino)Methyl]-,1-benzoateBenzenemethanol, α-[(diethylamino)methyl]-, 1-benzoate
Benzenemethanol, alpha-((diethylamino)methyl)-, benzoate (ester)beta-Benzoyloxy-beta-phenylethyl diethylamineELUCAINE [USAN]ELUCAINE [INN]Elucaine, alpha-((diethylamino)methyl)-, benzoate (ester)alpha-((Diethylamino)methyl)benzyl alcohol benzoate (ester)4-13-00-01807 (Beilstein Handbook Reference)Benzyl alcohol, alpha-(diethylaminomethyl)-, benzoate
Database identifiers
- CAS
25314-87-8- PubChem CID
- 32331
- DTXSID
DTXSID10865203- ChEMBL
CHEMBL2104229- UNII
- 85EW9V00UL
- Nikkaji
- J20.316E
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Boiling point
- 411.5 · 411.5±38.0 °C(Predicted)
- Density
- 1.067 · 1.067±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 9.27 · 9.27±0.25(Predicted)
- FDA UNII
- 85 EW9V00UL · 85EW9V00UL
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses.Anticholinergic (gastric).
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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