Basic information
- CAS
80428-17-7- Standard SMILES
CC[NH+](CC)CC[NH2+]C[C@@H]1Oc2ccccc2O[C@H]1c1ccccc1.[Cl-].[Cl-]- InChIKey
VIWYKJRLBGGRPG-HRIAXCGHSA-N- Molecular formula
- C21H30Cl2N2O2
- Average molar mass
- 413.4 g/mol
- Monoisotopic mass
- 412.1684336
Names & identifiers
- Preferred name
- 1,4-Benzodioxan-2-methylamine, N-(2-(diethylamino)ethyl)-3-phenyl-, dihydrochloride, (E)-
- IUPAC
- diethyl-[2-[[(2S,3S)-3-phenyl-2,3-dihydro-1,4-benzodioxin-2-yl]methylazaniumyl]ethyl]azanium dichloride
Names & synonyms
80428-17-7N-(2-(Diethylamino)ethyl)-3-phenyl-1,4-benzodioxan-2-methylamine dihydrochloride1,4-Benzodioxan-2-methylamine, N-(2-(diethylamino)ethyl)-3-phenyl-, dihydrochloride, (E)-trans-N,N-Diethyl-N'-((2,3-dihydro-3-phenyl-1,4-benzodioxin-2-yl)methyl)ethanediamineRefChem:220094
Database identifiers
- CAS
80428-17-7- PubChem CID
- 54572
Properties
Computed structural properties
- Topological polar surface area
- 39.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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