Ketocainol
Basic information
- CAS
7488-92-8- Standard SMILES
CCCC(O)c1ccccc1OCCN(C(C)C)C(C)C- InChIKey
DBQHPYODCJJUAP-UHFFFAOYSA-N- Molecular formula
- C18H31NO2
- Average molar mass
- 293.4 g/mol
- Monoisotopic mass
- 293.23547923
Names & identifiers
- Preferred name
- Ketocainol
- IUPAC
- 1-[2-[2-[di(propan-2-yl)amino]ethoxy]phenyl]butan-1-ol
- English name
- Ketocainol
- Molecular formula
- C18H31NO2
- Molecular weight
- 293.448
Names & synonyms
Ketocainol7488-92-8Ketocainol [INN]UQG78PXR4WUNII-UQG78PXR4WREC-7-0544o-(2-(Diisopropylamino)ethoxy)-alpha-propylbenzyl alcoholO-(2-(DIISOPROPYLAMINO)ETHOXY)-.ALPHA.-PROPYLBENZYL ALCOHOL2-(2-(BIS(1-METHYLETHYL)AMINO)ETHOXY)-.ALPHA.-PROPYLBENZENEMETHANOLBENZYL ALCOHOL, O-(2-(DIISOPROPYLAMINO)ETHOXY)-.ALPHA.-PROPYL-BENZENEMETHANOL, 2-(2-(BIS(1-METHYLETHYL)AMINO)ETHOXY)-.ALPHA.-PROPYL-ketocainolum
Show more names
2-[2-(Diisopropylamino)ethoxy]-α-propylbenzenemethanol1-(2-Diisopropylamino-ethoxy)-2-(1-hydroxy-butyl)-benzolBenzenemethanol, 2-[2-[bis(1-methylethyl)amino]ethoxy]-α-propyl-
RefChem:151139BENZYL ALCOHOL, O-(2-(DIISOPROPYLAMINO)ETHOXY)-ALPHA-PROPYL-2-(2-(BIS(1-METHYLETHYL)AMINO)ETHOXY)-ALPHA-PROPYLBENZENEMETHANOLBENZENEMETHANOL, 2-(2-(BIS(1-METHYLETHYL)AMINO)ETHOXY)-ALPHA-PROPYL-1-[2-[2-[di(propan-2-yl)amino]ethoxy]phenyl]butan-1-ol1-(2-{2-[Di(propan-2-yl)amino]ethoxy}phenyl)butan-1-olorb1696775CHEMBL2104326
Database identifiers
- CAS
7488-92-8- PubChem CID
- 23668
- DTXSID
DTXSID00996378- ChEMBL
CHEMBL2104326- UNII
- UQG78PXR4W
- Nikkaji
- J8.942G
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- FDA UNII
- 78 PXR4W · UQG78PXR4W
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Related reactions
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Compound notes
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