1,4-Benzodioxan-2-methylamine, N-butyl-5-chloro-8-ethoxy-, hydrochloride
Basic information
- CAS
14057-60-4- Standard SMILES
CCCC[NH2+]CC1COc2c(Cl)ccc(OCC)c2O1.[Cl-]- InChIKey
ORTQMJSSTJOFFX-UHFFFAOYSA-N- Molecular formula
- C15H23Cl2NO3
- Average molar mass
- 336.3 g/mol
- Monoisotopic mass
- 335.105499
Names & identifiers
- Preferred name
- 1,4-Benzodioxan-2-methylamine, N-butyl-5-chloro-8-ethoxy-, hydrochloride
- IUPAC
- butyl-[(5-chloro-8-ethoxy-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]azanium chloride
Names & synonyms
USAF EL-512-Butylaminomethyl-5-chloro-8-ethoxy-1,4-benzodioxan hydrochloride14057-60-45-Chloro-8-ethoxy-2-N-butylaminomethyl-1,4-benzodioxan hydrochloride1,4-Benzodioxan, 2-(butylaminomethyl)-5-chloro-8-ethoxy-, hydrochloride1,4-Benzodioxan-3-methylamine, N-butyl-8-chloro-5-ethoxy-, hydrochloride5-Chloro-8-ethoxy-2-n-butylaminomethyl-1,4-benzodioxane hydrochlorideN-Butyl-5-chloro-8-ethoxy-1,4-benzodioxan-2-methylamine hydrochloride1,4-BENZODIOXAN-2-METHYLAMINE, N-BUTYL-5-CHLORO-8-ETHOXY-, HYDROCHLORIDERefChem:220097
Database identifiers
- CAS
14057-60-4- PubChem CID
- 26431
Properties
Computed structural properties
- Topological polar surface area
- 44.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 280
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Compound notes
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