Basic information
- CAS
63916-83-6- Standard SMILES
CCCCCCOc1ccc(C(=O)OCCCN2CCCCC2C)cc1- InChIKey
QAQQSUVDOHQMHB-UHFFFAOYSA-N- Molecular formula
- C22H35NO3
- Average molar mass
- 361.5 g/mol
- Monoisotopic mass
- 361.26169398
Names & identifiers
- Preferred name
- 3-(2-Methylpiperidin-1-yl)propyl 4-(hexyloxy)benzoate
- IUPAC
- 3-(2-methylpiperidin-1-yl)propyl 4-hexoxybenzoate
- English name
- 3-(2-Methylpiperidino)propyl=p-hexyloxybenzoate
- Molecular formula
- C22H35NO3
- Molecular weight
- 361.52
Names & synonyms
63916-83-6DTXSID309810303-(2-METHYLPIPERIDIN-1-YL)PROPYL 4-(HEXYLOXY)BENZOATERefChem:1066577DTXCID7014083033-(2'-Methylpiperidino)propyl p-hexoxybenzoateBENZOIC ACID, p-HEXOXY-, 3-(2'-METHYLPIPERIDINO)PROPYL ESTER3-(2-Methylpiperidino)propyl=p-hexyloxybenzoateBenzoic acid, 4-(hexyloxy)-, 3-(2-methyl-1-piperidinyl)propyl ester
Database identifiers
- CAS
63916-83-6- PubChem CID
- 45245
- DTXSID
DTXSID30981030- Nikkaji
- J83.416E
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 380
Physicochemical properties
- Boiling point
- 493.32 °C · 493.32°C (rough estimate)
- Density
- 1.0721 · 1.0721 (rough estimate)
- refractive index
- 1.5614 · 1.5614 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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