Basic information
- CAS
14057-60-4- Standard SMILES
CCCCNCC1COc2c(Cl)ccc(OCC)c2O1.Cl- InChIKey
ORTQMJSSTJOFFX-UHFFFAOYSA-N- Molecular formula
- C15H23Cl2NO3
- Average molar mass
- 336.3 g/mol
- Monoisotopic mass
- 335.105499
Overview
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Names & identifiers
- Preferred name
- N-[(5-Chloro-8-ethoxy-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]butan-1-amine--hydrogen chloride (1/1)
- IUPAC
- N-[(5-chloro-8-ethoxy-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]butan-1-amine;hydrochloride
Names & synonyms
DTXSID00930878N-[(5-Chloro-8-ethoxy-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]butan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
14057-60-4- PubChem CID
- 85636795
- DTXSID
DTXSID00930878
Properties
Computed structural properties
- Topological polar surface area
- 39.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
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Compound notes
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