1,4-Benzodioxin-2-methanamine, 2,3-dihydro-N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-, trihydrochloride
Basic information
- CAS
104655-22-3- Standard SMILES
COc1ccccc1N1CCN(CCCOc2ccc(NCC3COc4ccccc4O3)cc2)CC1.Cl.Cl.Cl- InChIKey
UBHVDPWKQVRLPX-UHFFFAOYSA-N- Molecular formula
- C29H38Cl3N3O4
- Average molar mass
- 599 g/mol
- Monoisotopic mass
- 597.19279
Names & identifiers
- Preferred name
- 1,4-Benzodioxin-2-methanamine, 2,3-dihydro-N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-, trihydrochloride
- IUPAC
- N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]aniline;trihydrochloride
Names & synonyms
104655-22-31,4-Benzodioxin-2-methanamine, 2,3-dihydro-N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-, trihydrochlorideRefChem:220112DTXSID80909103N-[(2,3-Dihydro-1,4-benzodioxin-2-yl)methyl]-4-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy}aniline--hydrogen chloride (1/3)
Database identifiers
- CAS
104655-22-3- PubChem CID
- 59874
- DTXSID
DTXSID80909103
Properties
Computed structural properties
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 624
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…