Basic information
- CAS
6947-51-9- Standard SMILES
CCCCCCCCCCCCCCCCCCN=Cc1ccccc1O- InChIKey
DRNHFYUTXHIEFC-UHFFFAOYSA-N- Molecular formula
- C25H43NO
- Average molar mass
- 373.6 g/mol
- Monoisotopic mass
- 373.334465
Names & identifiers
- Preferred name
- 2-[(Octadecylimino)methyl]phenol
- IUPAC
- 2-(octadecyliminomethyl)phenol
- English name
- 2-((E)-[(E)-Octadecylimino]methyl)phenol
- Molecular formula
- C25H43NO
- Molecular weight
- 373.62
Names & synonyms
2-[(octadecylimino)methyl]phenol6947-51-92-((E)-[(E)-Octadecylimino]methyl)phenol2-(Octadecyliminomethyl)phenolNSC65532salicyliden octadecyl amineNCIOpen2_007630NCIOpen2_008264Phenol, 2-octadecyliminomethyl-SCHEMBL14337472SCHEMBL14421086DRNHFYUTXHIEFC-WNAAXNPUSA-N
Show more names
N-octadecylsalicylaldiminePhenol, 2-[(octadecylimino)methyl]-
NSC56963NSC-56963NSC-655322-((E)-[(E)-Octadecylimino]methyl)phenol #AE-848/30539019
Database identifiers
- CAS
6947-51-9- PubChem CID
- 245243
- Nikkaji
- J1.030.361C、J1.898.850J
Properties
Computed structural properties
- XLogP
- 10
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 18
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- Melting point
- 38 °C · 38 °C
- Boiling point
- 487.178 · 487.178±28.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.917 · 0.917±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.441 · 12.441±0.50(predicted)
Chemistry & industry
Suppliers1 total
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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