Basic information
- CAS
5408-13-9- Standard SMILES
CCCCCCCCCc1cc(CN2CCCCC2)c(O)c(CN2CCCCC2)c1- InChIKey
GLUITSRIGSTEOE-UHFFFAOYSA-N- Molecular formula
- C27H46N2O
- Average molar mass
- 414.7 g/mol
- Monoisotopic mass
- 414.3610141
Names & identifiers
- Preferred name
- 4-Nonyl-2,6-bis(piperidin-1-ylmethyl)phenol
- IUPAC
- 4-nonyl-2,6-bis(piperidin-1-ylmethyl)phenol
- English name
- 4-nonyl-2,6-bis(1-piperidylmethyl)phenol
- Molecular formula
- C27H46N2O
- Molecular weight
- 414.67
Names & synonyms
5408-13-94-nonyl-2,6-bis(piperidin-1-ylmethyl)phenolNSC10773DTXSID50278954NSC-107734-Nonyl-2,6-bis[(piperidin-1-yl)methyl]phenol4-nonyl-2,6-bis(1-piperidylmethyl)phenolPhenol, 4-nonyl-2,6-bis(1-piperidinylmethyl)-
Database identifiers
- CAS
5408-13-9- PubChem CID
- 223282
- DTXSID
DTXSID50278954
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 26.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 401
Physicochemical properties
- Boiling point
- 517.2 · 517.2±45.0 °C(Predicted)
- Density
- 1.013 · 1.013±0.06 g/cm3(Predicted)
- pka
- 10.18 · 10.18±0.50(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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