Pyrrolidine, 1-(beta-ethoxyphenethyl)-
Basic information
- CAS
6722-45-8- Standard SMILES
CCOC(CN1CCCC1)c1ccccc1- InChIKey
QGGLZIVESWLVPS-UHFFFAOYSA-N- Molecular formula
- C14H21NO
- Average molar mass
- 219.32 g/mol
- Monoisotopic mass
- 219.16231429
Names & identifiers
- Preferred name
- Pyrrolidine, 1-(beta-ethoxyphenethyl)-
- IUPAC
- 1-(2-ethoxy-2-phenylethyl)pyrrolidine
- English name
- 1-(2-Ethoxy-2-phenylethyl)pyrrolidine
- Molecular formula
- C14H21NO
- Molecular weight
- 219.32
Names & synonyms
Pyrrolidine, 1-(beta-ethoxyphenethyl)-6722-45-8RefChem:1097602Pyrrolidine, 1-(2-ethoxy-2-phenylethyl)-1-(beta-Ethoxyphenethyl)pyrrolidineNSC 220048NSC220048WLN: T5NTJ A1YR&O2SCHEMBL147917801-(.beta.-Ethoxyphenethyl)pyrrolidineNSC-220048Pyrrolidine, 1-(.beta.-ethoxyphenethyl)-
Show more names
1-(2-Ethoxy-2-phenylethyl)pyrrolidine
Database identifiers
- CAS
6722-45-8- PubChem CID
- 99787
- Nikkaji
- J51.448I
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Melting point
- 11 °C · 11 °C
- Boiling point
- 139 · 139-140 °C
- Density
- 1.005 · 1.005±0.06 g/cm3(Predicted)
- pka
- 9.58 · 9.58±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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