Basic information
- CAS
3690-18-4- Standard SMILES
CC(CC(=O)Nc1ccccc1)N1CCCC1- InChIKey
ZZPMMTHXFMSBNE-UHFFFAOYSA-N- Molecular formula
- C14H20N2O
- Average molar mass
- 232.32 g/mol
- Monoisotopic mass
- 232.15756327
Names & identifiers
- Preferred name
- Propionanilide, 2-methyl-2-pyrrolidinyl-
- IUPAC
- N-phenyl-3-pyrrolidin-1-ylbutanamide
- English name
- 2-Methyl-2-(1-pyrrolidinyl)-N-phenylpropionamide
- Molecular weight
- 0
Names & synonyms
3690-18-4Propionanilide, 2-methyl-2-pyrrolidinyl-RefChem:10969443-PyrrolidinylbutyranilideBRN 0166542beta-(N-Pyrrolidyl)-butyroanilidWS-10beta-Methyl-1-pyrrolidinepropionanilideAnilide of (pyrrolidino-N)-3-N-butyric acidAnilide de l'acide (pyrrolidino-N)-3-n-butyrique [French]1-Pyrrolidinepropanamide, beta-methyl-N-phenyl-Anilide de l'acide (pyrrolidino-N)-3-n-butyrique
Show more names
4-20-00-00209 (Beilstein Handbook Reference)SCHEMBL29387484DTXSID70958100N-Phenyl-3-(pyrrolidin-1-yl)butanimidic acid2-Methyl-2-(1-pyrrolidinyl)-N-phenylpropionamide
Database identifiers
- CAS
3690-18-4- PubChem CID
- 107151
- DTXSID
DTXSID70958100
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Boiling point
- 374.49 °C · 374.49°C (rough estimate)
- Density
- 1.0151 · 1.0151 (rough estimate)
- refractive index
- 1.511 · 1.5110 (estimate)
- Toxicity
- 50 oral · LD50 oral in mouse: 1350mg/kg
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
- Toxicity
- LD50 oral in mouse: 1350mg/kg
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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