1,4-Benzodioxan-2-methanol, alpha-(((4-methoxybutyl)amino)methyl)-alpha-methyl-
Basic information
- CAS
13627-87-7- Standard SMILES
COCCCCNCC(C)(O)C1COc2ccccc2O1- InChIKey
MZLXCKVKXIYDHQ-UHFFFAOYSA-N- Molecular formula
- C16H25NO4
- Average molar mass
- 295.37 g/mol
- Monoisotopic mass
- 295.17835828
Names & identifiers
- Preferred name
- 1,4-Benzodioxan-2-methanol, alpha-(((4-methoxybutyl)amino)methyl)-alpha-methyl-
- IUPAC
- 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-(4-methoxybutylamino)propan-2-ol
- English name
- α-[[(4-Methoxybutyl)amino]methyl]-α-methyl-1,4-benzodioxane-2-methanol
- Molecular formula
- C16H25NO4
- Molecular weight
- 295.376
Names & synonyms
13627-87-7BRN 13900083183 I.S.alpha-(((4-Methoxybutyl)amino)methyl)-alpha-methyl-1,4-benzodioxan-2-methanol1,4-BENZODIOXAN-2-METHANOL, alpha-(((4-METHOXYBUTYL)AMINO)METHYL)-alpha-METHYL-1,4-Benzodioxin-2-methanol, 2,3-dihydro-alpha-(((4-methoxybutyl)amino)methyl)-alpha-methyl-2-(1-Idrossi-2-metil-2-(delta-metossibutilammino))etil-1,4-benzodiossano [Italian]2-(1-Idrossi-2-metil-2-(delta-metossibutilammino))etil-1,4-benzodiossanoRefChem:2200892-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-(4-methoxybutylamino)propan-2-olalpha-[[(4-Methoxybutyl)amino]methyl]-alpha-methyl-1,4-benzodioxane-2-methanolDTXSID90929317
Show more names
3183IS3183I.S.2---benzodioxanα-[[(4-Methoxybutyl)amino]methyl]-α-methyl-1,4-benzodioxane-2-methanol1,4-Benzodioxin-2-methanol, 2,3-dihydro-α-[[(4-methoxybutyl)amino]methyl]-α-methyl-
2-(2,3-Dihydro-1,4-benzodioxin-2-yl)-1-[(4-methoxybutyl)amino]propan-2-ol
Database identifiers
- CAS
13627-87-7- PubChem CID
- 26147
- DTXSID
DTXSID90929317- Nikkaji
- J71.437B
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 60 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Melting point
- 125 · 125-130 °C
- Boiling point
- 438.2 · 438.2±40.0 °C(Predicted)
- Density
- 1.121 · 1.121±0.06 g/cm3(Predicted)
- pka
- 13.68 · 13.68±0.29(Predicted)
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Related reactions
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Compound notes
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