Basic information
- CAS
104655-21-2- Standard SMILES
COc1ccccc1N1CCN(CCCOc2ccc(NC(C)C)cc2)CC1.Cl.Cl.Cl- InChIKey
LNFPEMBWXWSRAT-UHFFFAOYSA-N- Molecular formula
- C23H36Cl3N3O2
- Average molar mass
- 492.9 g/mol
- Monoisotopic mass
- 491.18731
Names & identifiers
- Preferred name
- Benzenamine, 4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)-N-(1-methylethyl)-, trihydrochloride
- IUPAC
- 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-N-propan-2-ylaniline;trihydrochloride
Names & synonyms
Benzenamine, 4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)-N-(1-methylethyl)-, trihydrochloride104655-21-2DTXSID601466304-(3-(4-(2-Methoxyphenyl)-1-piperazinyl)propoxy)-N-(1-methylethyl)benzenamine trihydrochlorideRefChem:322879DTXCID00691214-{3-[4-(2-Methoxyphenyl)piperazin-1-yl]propoxy}-N-(propan-2-yl)aniline--hydrogen chloride (1/3)
Database identifiers
- CAS
104655-21-2- PubChem CID
- 59872
- DTXSID
DTXSID60146630
Properties
Computed structural properties
- Topological polar surface area
- 37 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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