2-(1-Isopropylimino)ethyl-7-(2-hydroxy-3-isopropylaminopropoxy)benzofuran
Basic information
- CAS
39552-03-9- Standard SMILES
CC(=NC(C)C)c1cc2cccc(OCC(O)CNC(C)C)c2o1- InChIKey
UKZDLWGAECFGQA-UHFFFAOYSA-N- Molecular formula
- C19H28N2O3
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.20999276
Names & identifiers
- Preferred name
- 2-(1-Isopropylimino)ethyl-7-(2-hydroxy-3-isopropylaminopropoxy)benzofuran
- IUPAC
- 1-[[2-(C-methyl-N-propan-2-ylcarbonimidoyl)-1-benzofuran-7-yl]oxy]-3-(propan-2-ylamino)propan-2-ol
- English name
- 1-[(1-Methylethyl)amino]-3-[[2-[1-[(1-methylethyl)imino]ethyl]benzofuran-7-yl]oxy]-2-propanol
- Molecular formula
- C19H28N2O3
- Molecular weight
- 332.44
Names & synonyms
2-(1-Isopropylimino)ethyl-7-(2-hydroxy-3-isopropylaminopropoxy)benzofuran39552-03-92-Propanol, 1-((1-methylethyl)amino)-3-((2-(1-((1-methylethyl)imino)ethyl)-7-benzofuranyl)oxy)-51794-02-6SCHEMBL11751411SCHEMBL11751418DTXSID902769191-[(Propan-2-yl)amino]-3-({2-[(1E)-N-(propan-2-yl)ethanimidoyl]-1-benzofuran-7-yl}oxy)propan-2-ol1-[(1-Methylethyl)amino]-3-[[2-[1-[(1-methylethyl)imino]ethyl]benzofuran-7-yl]oxy]-2-propanol2-Propanol, 1-[(1-methylethyl)amino]-3-[[2-[1-[(1-methylethyl)imino]ethyl]-7-benzofuranyl]oxy]-
Database identifiers
- CAS
39552-03-9、51794-02-6- PubChem CID
- 217740
- DTXSID
DTXSID90276919- Nikkaji
- J69.779F
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 67 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 411
Physicochemical properties
- Boiling point
- 469.2 · 469.2±45.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 13.8 · 13.80±0.20(Predicted)
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Compound notes
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