dl-8-Ethoxy-2-(n-butylaminomethyl)-1,4-benzodioxane hydrochloride
Basic information
- CAS
6038-78-4- Standard SMILES
CCCC[NH2+]CC1COc2cccc(OCC)c2O1.[Cl-]- InChIKey
JAIBEXLQBQFZOW-UHFFFAOYSA-N- Molecular formula
- C15H24ClNO3
- Average molar mass
- 301.81 g/mol
- Monoisotopic mass
- 301.1444713
Overview
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Names & identifiers
- Preferred name
- dl-8-Ethoxy-2-(n-butylaminomethyl)-1,4-benzodioxane hydrochloride
- IUPAC
- butyl-[(5-ethoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]azanium chloride
Names & synonyms
883F HClEINECS 227-924-9UNII-M77KGL2QN0NSC 106903dl-8-Ethoxy-2-(n-butylaminomethyl)-1,4-benzodioxane hydrochloride(+-)-2-(Butylaminomethyl)-8-ethoxy-1,4-benzodioxan hydrochloride1,4-Benzodioxan-2-methanamine, N-butyl-8-ethoxy-2,3-dihydro-, hydrochloridebutyl-[(5-ethoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]azanium;chloride1,4-Benzodioxan-2-methanamine, N-butyl-8-ethoxy-2,3-dihydro-, hydrochloride, (+-)-
Database identifiers
- CAS
6038-78-4- PubChem CID
- 22398
Properties
Computed structural properties
- Topological polar surface area
- 44.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 250
Related reactions
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Compound notes
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