Basic information
- CAS
17671-49-7- Standard SMILES
CCCCCCCCCCCCCCCCCCN(CCO)CCCN(CCO)CCO- InChIKey
KRZCNRGNPAESDC-UHFFFAOYSA-N- Molecular formula
- C27H58N2O3
- Average molar mass
- 458.8 g/mol
- Monoisotopic mass
- 458.44474372
Overview
Olaflur is an amino alcohol.
Names & identifiers
- Preferred name
- N-Stearyl-N-(2-hydroxyethyl)-N',N'-bis(2-hydroxyethyl)trimethylenediamine
- IUPAC
- 2-[3-[bis(2-hydroxyethyl)amino]propyl-octadecylamino]ethanol
Names & synonyms
17671-49-7N-Stearyl-N-(2-hydroxyethyl)-N',N'-bis(2-hydroxyethyl)trimethylenediamineWN32HT51LPRefChem:1092100Olaflur base2,2'-((3-((2-Hydroxyethyl)(octadecyl)amino)propyl)azanediyl)bis(ethan-1-ol)UNII-WN32HT51LP2-[3-[bis(2-hydroxyethyl)amino]propyl-octadecylamino]ethanolBishydroxyethylaminepropyl-N-hydroxyethyloctadecylamineSCHEMBL5346340CHEMBL2110901SCHEMBL10780420
Show more names
CHEBI:135940NS00003722Q27292730ETHANOL, 2,2'-((3-((2-HYDROXYETHYL)OCTADECYLAMINO)PROPYL)IMINO)DI-N-OCTADECYL-N,N',N'-TRIS(2-HYDROXYETHYL)-1,3-TRIMETHYLENEDIAMINEBIS(HYDROXYETHYL)-AMINOPROPYL-N-HYDROXYETHYL-OCTADECYLAMINE DIHYDROFLUORIDEETHANOL, 2,2'-((3-((2-HYDROXYETHYL)OCTADECYLAMINO)PROPYL)IMINO)BIS-
Database identifiers
- CAS
17671-49-7- PubChem CID
- 23258
- ChEMBL
CHEMBL2110901- ChEBI
CHEBI:135940- UNII
- WN32HT51LP
- Nikkaji
- J9.107C
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 27
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 339
Experimental & physicochemical properties
DrugsPharmaceuticals
Chemistry & industry
Uses & manufacturing
UsesUse (kg) in Switzerland (2009): >2500
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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