Benzoic acid, 3-(2'-pent-3''-enylpiperidino)propyl ester
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Basic information
- CAS
64050-35-7- Standard SMILES
C/C=C/CCC1CCCCN1CCCOC(=O)c1ccccc1- InChIKey
ZLAMOIIYVOQQBW-NSCUHMNNSA-N- Molecular formula
- C20H29NO2
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.21982917
Names & identifiers
- Preferred name
- Benzoic acid, 3-(2'-pent-3''-enylpiperidino)propyl ester
- IUPAC
- 3-[2-[(E)-pent-3-enyl]piperidin-1-yl]propyl benzoate
- English name
- 3-[2-(3-Pentenyl)piperidino]propyl=benzoate
- Molecular formula
- C20H29NO2
- Molecular weight
- 315.45
Names & synonyms
64050-35-7BENZOIC ACID, 3-(2'-PENT-3''-ENYLPIPERIDINO)PROPYL ESTERRefChem:10790573-(2'-Pent-3''-enylpiperidino)propyl benzoate3-[2-(3-Pentenyl)piperidino]propyl=benzoate1-Piperidinepropanol, 2-(3-penten-1-yl)-, 1-benzoate
Database identifiers
- CAS
64050-35-7- PubChem CID
- 6434853
- Nikkaji
- J83.479C
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- Boiling point
- 427.9 · 427.9±28.0 °C(Predicted)
- Density
- 1.002 · 1.002±0.06 g/cm3(Predicted)
- pka
- 9.42 · 9.42±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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