Basic information
- CAS
20541-83-7- Standard SMILES
COc1cc(C(=O)OCCOCCN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc(OC)c1OC.Cl.Cl- InChIKey
VVQAGLMWVDPLLF-UHFFFAOYSA-N- Molecular formula
- C31H39Cl3N2O6
- Average molar mass
- 642 g/mol
- Monoisotopic mass
- 640.18737
Names & identifiers
- Preferred name
- Ethanol, 2-(2-(4-(p-chloro-alpha-phenylbenzyl)-1-piperazinyl)ethoxy)-, 3,4,5-trimethoxybenzoate, dihydrochloride
- IUPAC
- 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethyl 3,4,5-trimethoxybenzoate;dihydrochloride
- English name
- 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]ethyl 3, 4,5-trimethoxybenzoate dihydrochloride
- Molecular formula
- C31H39Cl3N2O6
- Molecular weight
- 0
Names & synonyms
20541-83-7SAS 521Ethanol, 2-(2-(4-(p-chloro-alpha-phenylbenzyl)-1-piperazinyl)ethoxy)-, 3,4,5-trimethoxybenzoate, dihydrochlorideRefChem:340834DTXSID209427162-[2-[4-[(4-chlorophenyl)phenylmethyl]piperazin-1-yl]ethoxy]ethyl 3,4,5-trimethoxybenzoate dihydrochlorideDB-3027582-(2-{4-[(4-Chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)ethyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/2)2-[2-[4-[(4-Chlorophenyl )-phenyl -methyl ]piperazin-1-yl ]ethoxy]ethyl 3,4,5-trimethoxybenzoate dihydrochloride2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]ethyl 3, 4,5-trimethoxybenzoate dihydrochloride
Database identifiers
- CAS
20541-83-7- PubChem CID
- 89348
- DTXSID
DTXSID20942716
Properties
Computed structural properties
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 711
Physicochemical properties
- Melting point
- 190 · 190-192 °C
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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