1-Benzyl-1,4-bis(1-phenylpropan-2-yl)piperazin-1-ium bromide
Basic information
- CAS
23111-70-8- Standard SMILES
CC(Cc1ccccc1)N1CC[N+](Cc2ccccc2)(C(C)Cc2ccccc2)CC1.[Br-]- InChIKey
KCTRIOPYOHOKFL-UHFFFAOYSA-M- Molecular formula
- C29H37BrN2
- Average molar mass
- 493.5 g/mol
- Monoisotopic mass
- 492.21401
Names & identifiers
- Preferred name
- 1-Benzyl-1,4-bis(1-phenylpropan-2-yl)piperazin-1-ium bromide
- IUPAC
- 1-benzyl-1,4-bis(1-phenylpropan-2-yl)piperazin-1-ium bromide
- English name
- 1-benzyl-1,4-bis(1-phenylpropan-2-yl)-2,3,5,6-tetrahydropyrazine bromide
- Molecular formula
- C29H37BrN2
- Molecular weight
- 0
Names & synonyms
23111-70-81-benzyl-1,4-bis(1-phenylpropan-2-yl)piperazin-1-ium bromideDTXSID40945789RefChem:1054951DTXCID9013740931-Benzyl-1,4-bis(alpha-methylphenethyl)piperazinium bromideSCHEMBL16226174Piperazinium, 1-benzyl-1,4-bis(alpha-methylphenethyl)-, bromide1-BENZYL-1,4-BIS(1-PHENYLPROPAN-2-YL)-2,3,5,6-TETRAHYDROPYRAZINE BROMIDE
Database identifiers
- CAS
23111-70-8- PubChem CID
- 211428
- DTXSID
DTXSID40945789
Properties
Computed structural properties
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 491
Physicochemical properties
- Toxicity
- 50 scu-mus: · LD50 scu-mus: 350 mg/kg JPETAB 97,25,49
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 scu-mus: 350 mg/kg JPETAB 97,25,49
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…