Basic information
- CAS
94-23-5- Standard SMILES
CCOc1ccc(C(=O)OCCN(CC)CC)cc1- InChIKey
OWWVHQUOYSPNNE-UHFFFAOYSA-N- Molecular formula
- C15H23NO3
- Average molar mass
- 265.35 g/mol
- Monoisotopic mass
- 265.1677936
Overview
Parethoxycaine is a benzoate ester.
Names & identifiers
- Preferred name
- Parethoxycaine
- IUPAC
- 2-(diethylamino)ethyl 4-ethoxybenzoate
- English name
- 2-diethylaminoethyl 4-ethoxybenzoate
- Molecular formula
- C15H23NO3
- Molecular weight
- 0
Names & synonyms
PARETHOXYCAINE94-23-5ParethoxicainumParethoxycainumParetoxicainaParethoxycaine [INN]Parethoxycainum [INN-Latin]Paretoxicaina [INN-Spanish]DTXSID00460604-Ethoxybenzoic acid 2-(diethylamino)ethyl ester2-(Diethylamino)ethyl-4-ethoxybenzoateBRN 2586492
Show more names
2-diethylaminoethyl 4-ethoxybenzoate4-Ethoxybenzoic acid 2-(diethylamino)ethyl
beta-(Diethylamino)ethyl-4-ethoxybenzoate68E52E5J67PARETHOXYCAINE [MI]Benzoic acid, p-ethoxy-, 2-(diethylamino)ethyl esterPARETHOXYCAINE [WHO-DD]DTXCID80260604-10-00-00396 (Beilstein Handbook Reference)Benzoic acid, 4-ethoxy-, 2-(diethylamino)ethyl ester
Database identifiers
- CAS
94-23-5- PubChem CID
- 7183
- DTXSID
DTXSID0046060- ChEMBL
CHEMBL421669- ChEBI
CHEBI:135095- UNII
- 68E52E5J67
- Nikkaji
- J4.697C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Melting point
- 173 °C · 173°C
- Boiling point
- 408.57 °C · 408.57°C (rough estimate)
- Density
- 1.0479 · 1.0479 (rough estimate)
- refractive index
- 1.5 · 1.5000 (estimate)
- Water Solubility
- 512.1 mg/L · 512.1mg/L(temperature not stated)
- FDA UNII
- 68 E52E5J67 · 68E52E5J67
Chemistry & industry
Suppliers2 total
北京普天同创生物科技有限公司[email protected]
SPECS[email protected]
Additional notes
DefinitionChEBI: Parethoxycaine is a benzoate ester.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…