1-(2-Chlorophenyl)-2-(dioctylamino)ethanol
Basic information
- CAS
5419-27-2- Standard SMILES
CCCCCCCCN(CCCCCCCC)CC(O)c1ccccc1Cl- InChIKey
DUIWTCPGYUDDGX-UHFFFAOYSA-N- Molecular formula
- C24H42ClNO
- Average molar mass
- 396 g/mol
- Monoisotopic mass
- 395.2954927
Names & identifiers
- Preferred name
- 1-(2-Chlorophenyl)-2-(dioctylamino)ethanol
- IUPAC
- 1-(2-chlorophenyl)-2-(dioctylamino)ethanol
Names & synonyms
5419-27-21-(2-chlorophenyl)-2-(dioctylamino)ethanolNSC9677Benzenemethanol, 2-chloro-.alpha.-[(dioctylamino)methyl]-DTXSID70278734NSC-96771-(2-Chlorophenyl)-2-(dioctylamino)ethan-1-olBenzyl alcohol, o-chloro-.alpha.-[(dioctylamino)methyl]-
Database identifiers
- CAS
5419-27-2- PubChem CID
- 222780
- DTXSID
DTXSID70278734
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 17
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 310
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Compound notes
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