Ethanone, 1-(2,4-bis(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-
Basic information
- CAS
87049-12-5- Standard SMILES
CC(=O)c1ccc(OCC(O)CNC(C)(C)C)cc1OCC(O)CNC(C)(C)C- InChIKey
LTFYYNVFBBJXJP-UHFFFAOYSA-N- Molecular formula
- C22H38N2O5
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.27807232
Names & identifiers
- Preferred name
- Ethanone, 1-(2,4-bis(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-
- IUPAC
- 1-[2,4-bis[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]ethanone
Names & synonyms
BRN 45498622,4-Bis((tert-butylamino)-2-hydroxypropoxy)acetophenone87049-12-51-(2,4-Bis(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)ethanoneETHANONE, 1-(2,4-BIS(3-((1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPOXY)PHENYL)-RefChem:341027DTXSID7010072801-{2,4-Bis[3-(tert-butylamino)-2-hydroxypropoxy]phenyl}ethan-1-one
Database identifiers
- CAS
87049-12-5- PubChem CID
- 55614
- DTXSID
DTXSID701007280
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 487
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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