Ketone, 4-(3-(tert-butylamino)-2-hydroxypropoxy)-2-benzofuranyl methyl
Basic information
- CAS
39543-84-5- Standard SMILES
CC(=O)c1cc2c(OCC(O)CNC(C)(C)C)cccc2o1- InChIKey
QKWGJWSWCIYETM-UHFFFAOYSA-N- Molecular formula
- C17H23NO4
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.16270821
Names & identifiers
- Preferred name
- Ketone, 4-(3-(tert-butylamino)-2-hydroxypropoxy)-2-benzofuranyl methyl
- IUPAC
- 1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-1-benzofuran-2-yl]ethanone
- English name
- 1-[4-[3-(tert-Butylamino)-2-hydroxypropoxy]2-benzofuranyl]ethanone
- Molecular formula
- C17H23NO4
- Molecular weight
- 305.37
Names & synonyms
39543-84-52-Acetyl-4-(2-hydroxy-3-tert-butylaminopropoxy)benzofuran1-(4-(3-((1,1-Dimethylethyl)amino)-2-hydroxypropoxy)-2-benzofuranyl)ethanoneKETONE, 4-(3-(tert-BUTYLAMINO)-2-HYDROXYPROPOXY)-2-BENZOFURANYL METHYLEthanone, 1-(4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-2-benzofuranyl)-RefChem:3504221-[4-[3-(tert-butylamino)-2-hydroxypropoxy]2-benzo[b]furanyl]ethanoneSCHEMBL11748971DTXSID609601511-{4-[3-(tert-Butylamino)-2-hydroxypropoxy]-1-benzofuran-2-yl}ethan-1-one1-[4-[3-(tert-Butylamino)-2-hydroxypropoxy]2-benzofuranyl]ethanoneEthanone, 1-[4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-2-benzofuranyl]-
Database identifiers
- CAS
39543-84-5- PubChem CID
- 38288
- DTXSID
DTXSID60960151- Nikkaji
- J71.206J
Properties
Computed structural properties
- XLogP
- 2.3
- 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)
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Related reactions
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Compound notes
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