Basic information
- CAS
121426-07-1- Standard SMILES
CC[N+](CC)(CCN1CCN(CC[N+](CC)(CC)Cc2ccc(Cl)cc2)CC1)Cc1ccc(Cl)cc1.[Br-].[Br-]- InChIKey
JUWMVMXSLBUVFO-UHFFFAOYSA-L- Molecular formula
- C30H48Br2Cl2N4
- Average molar mass
- 695.4 g/mol
- Monoisotopic mass
- 692.16228
Names & identifiers
- Preferred name
- Ammonium, (1,4-piperazinediyldiethylene)bis((p-chlorobenzyl)diethyl-, dibromide
- IUPAC
- (4-chlorophenyl)methyl-[2-[4-[2-[(4-chlorophenyl)methyl-diethylazaniumyl]ethyl]piperazin-1-yl]ethyl]-diethylazanium dibromide
Names & synonyms
191 HCAmmonium, (1,4-piperazinediyldiethylene)bis((p-chlorobenzyl)diethyl-, dibromide121426-07-1(1,4-Piperazinediyldiethylene)bis((p-chlorobenzyl)diethylammonium bromide)Di((p-chloro-chlorobenzylate)) de N-N bis (diethylaminoethyl)piperazine [French]Di((p-chloro-chlorobenzylate)) de N-N bis (diethylaminoethyl)piperazineRefChem:318675DTXSID40923800N,N'-[Piperazine-1,4-diyldi(ethane-2,1-diyl)]bis{N-[(4-chlorophenyl)methyl]-N-ethylethan-1-aminium} dibromide
Database identifiers
- CAS
121426-07-1- PubChem CID
- 60738
- DTXSID
DTXSID40923800
Properties
Computed structural properties
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 534
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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