1-(7-(3-((1,1-Dimethylethyl)amino)-2-hydroxypropoxy)-2-benzofuranyl)ethanone
Basic information
- CAS
39543-80-1- Standard SMILES
CC(=O)c1cc2cccc(OCC(O)CNC(C)(C)C)c2o1- InChIKey
SRKJBWACUFBLGI-UHFFFAOYSA-N- Molecular formula
- C17H23NO4
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.16270821
Overview
befunolol derivative; structure given in first source
Names & identifiers
- Preferred name
- 1-(7-(3-((1,1-Dimethylethyl)amino)-2-hydroxypropoxy)-2-benzofuranyl)ethanone
- IUPAC
- 1-[7-[3-(tert-butylamino)-2-hydroxypropoxy]-1-benzofuran-2-yl]ethanone
- English name
- BFE 61
- Molecular weight
- 0
Names & synonyms
BFE-6139543-80-1Bfe 611-(7-(3-((1,1-Dimethylethyl)amino)-2-hydroxypropoxy)-2-benzofuranyl)ethanoneRefChem:1195902-Acetyl-7-(2-hydroxy-3-tert-butylaminopropoxy)benzofuran1-[7-[3-(tert-butylamino)-2-hydroxypropoxy]-1-benzofuran-2-yl]ethanoneKETONE, 7-(3-(tert-BUTYLAMINO)-2-HYDROXYPROPOXY)-2-BENZOFURANYL METHYLEthanone, 1-(7-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-2-benzofuranyl)-orb1701064SCHEMBL11749742DTXSID00960150
Show more names
1-[7-[3-(tert-Butylamino)-2-hydroxypropoxy]-2-benzofuranyl]ethanone
1-{7-[3-(tert-Butylamino)-2-hydroxypropoxy]-1-benzofuran-2-yl}ethan-1-oneAKOS040747955CS-0083267T26784
Database identifiers
- CAS
39543-80-1- PubChem CID
- 38287
- DTXSID
DTXSID00960150- Nikkaji
- J71.207H
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 71.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 379
Physicochemical properties
- Boiling point
- 446.09 °C · 446.09°C (rough estimate)
- Density
- 1.0817 · 1.0817 (rough estimate)
- refractive index
- 1.52 · 1.5200 (estimate)
- Toxicity
- 50 intravenous · LD50 intravenous in mouse: 45mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 intravenous in mouse: 45mg/kg
Chemistry & industry
Applications
UsesBFE-61 is an active compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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