Basic information
- CAS
64050-33-5- Standard SMILES
CC1CCCCN1CCCCCOC(=O)c1ccccc1- InChIKey
ONEJOFKVJCCUOT-UHFFFAOYSA-N- Molecular formula
- C18H27NO2
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 289.2041791
Names & identifiers
- Preferred name
- Benzoic acid, 5-(2'-methylpiperidino)pentyl ester
- IUPAC
- 5-(2-methylpiperidin-1-yl)pentyl benzoate
- English name
- 5-(2-Methylpiperidino)pentyl=benzoate
- Molecular formula
- C18H27NO2
- Molecular weight
- 289.41
Names & synonyms
64050-33-5BENZOIC ACID, 5-(2'-METHYLPIPERIDINO)PENTYL ESTERRefChem:10792015-(2-methylpiperidin-1-yl)pentyl benzoate5-(2'-Methylpiperidino)pentyl benzoateDTXSID009823975-(2-Methylpiperidino)pentyl=benzoate1-Piperidinepentanol, 2-methyl-, 1-benzoate
Database identifiers
- CAS
64050-33-5- PubChem CID
- 47003
- DTXSID
DTXSID00982397- Nikkaji
- J83.467J
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- Boiling point
- 396.6 · 396.6±25.0 °C(Predicted)
- Density
- 1.008 · 1.008±0.06 g/cm3(Predicted)
- pka
- 10.05 · 10.05±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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