Basic information
- CAS
57631-93-3- Standard SMILES
C=CC(=O)Nc1ccc(C(=O)NCCN(CC)CC)cc1- InChIKey
PBUTWUPNYJDNBD-UHFFFAOYSA-N- Molecular formula
- C16H23N3O2
- Average molar mass
- 289.37 g/mol
- Monoisotopic mass
- 289.17902698
Names & identifiers
- Preferred name
- Procainamide acryloyl monomer
- IUPAC
- N-[2-(diethylamino)ethyl]-4-(prop-2-enoylamino)benzamide
- English name
- N-(2-diethylaminoethyl)-4-(prop-2-enoylamino)benzamide
- Molecular formula
- C16H23N3O2
- Molecular weight
- 289.37
Names & synonyms
Acrylylprocaine amidAcryloyl procainamide monomerProcainamide acryloyl monomer57631-93-3BENZAMIDE, N-(2-(DIETHYLAMINO)ETHYL)-4-((1-OXO-2-PROPENYL)AMINO)-RefChem:373810N-(2-diethylaminoethyl)-4-(prop-2-enoylamino)benzamideDTXSID20973207DB-255432DS-0167504-(Acryloylamino)-n-[2-(diethylamino)ethyl]benzamideN-[2-(DIETHYLAMINO)ETHYL]-4-(PROP-2-ENAMIDO)BENZAMIDE
Show more names
Benzamide, N-[2-(diethylamino)ethyl]-4-[(1-oxo-2-propen-1-yl)amino]-
N-[2-(Diethylamino)ethyl]-4-[(prop-2-enoyl)amino]benzamide
Database identifiers
- CAS
57631-93-3、57635-65-1- PubChem CID
- 42487
- DTXSID
DTXSID20973207
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 345
Physicochemical properties
- Boiling point
- 504.4 · 504.4±50.0 °C(Predicted)
- Density
- 1.095 · 1.095±0.06 g/cm3(Predicted)
- pka
- 13.15 · 13.15±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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