Nicotinoylprocaine
Basic information
- CAS
13424-56-1- Standard SMILES
CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cccnc2)cc1- InChIKey
NTPIQBSWTZGMTC-UHFFFAOYSA-N- Molecular formula
- C19H23N3O3
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.1739416
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- Nicotinoylprocaine
- IUPAC
- 2-(diethylamino)ethyl 4-(pyridine-3-carbonylamino)benzoate
- English name
- nicotinoylprocaine
- Molecular formula
- C19H23N3O3
- Molecular weight
- 341.4
Names & synonyms
Nicotinoylprocaine13424-56-12U2OXG6O70DTXSID50158606RefChem:165757DTXCID1081097N-nicotinoylprocaine2-(diethylamino)ethyl 4-(pyridine-3-carbonylamino)benzoateNicotinoyl procaineATHEROPLEXUNII-2U2OXG6O70SCHEMBL3079077
Show more names
Benzoic acid, 4-[(3-pyridinylcarbonyl)amino]-, 2-(diethylamino)ethyl ester
2-Diethylaminoethyl 4-(pyridine-3-carbonylamino)benzoateNICOTINOYLPROCAINE [WHO-DD]NS00005638Q272555952-(Diethylamino)ethyl 4-(pyridine-3-carboxamido)benzoateBENZOIC ACID, P-NICOTINAMIDO-, 2-(DIETHYLAMINO)ETHYL ESTERBENZOIC ACID, 4-((3-PYRIDINYLCARBONYL)AMINO)-, 2-(DIETHYLAMINO)ETHYL ESTER
Database identifiers
- CAS
13424-56-1- PubChem CID
- 159667
- DTXSID
DTXSID50158606- UNII
- 2U2OXG6O70
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 418
Physicochemical properties
- Boiling point
- 434.5 · 434.5±35.0 °C(Predicted)
- Density
- 1.18 · 1.180±0.06 g/cm3(Predicted)
- pka
- 11.69 · 11.69±0.70(Predicted)
- FDA UNII
- 2 U2OXG6O70 · 2U2OXG6O70
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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