1-(3,4-Dimethoxybenzyl)piperazine
Basic information
- CAS
32231-07-5- Standard SMILES
COc1ccc(CN2CCNCC2)cc1OC- InChIKey
ONIFCGFFEZDWSC-UHFFFAOYSA-N- Molecular formula
- C13H20N2O2
- Average molar mass
- 236.31 g/mol
- Monoisotopic mass
- 236.15247789
Names & identifiers
- Preferred name
- 1-(3,4-Dimethoxybenzyl)piperazine
- IUPAC
- 1-[(3,4-dimethoxyphenyl)methyl]piperazine
- English name
- 1-(3,4-Dimethoxy-benzyl)-piperazine
- Molecular formula
- C13H20N2O2
- Molecular weight
- 236.31
Names & synonyms
32231-07-51-(3,4-dimethoxybenzyl)piperazine1-(3,4-Dimethoxy-benzyl)-piperazine1-[(3,4-dimethoxyphenyl)methyl]piperazineMFCD001280741,2-dimethoxy-4-(piperazinylmethyl)benzeneOprea1_400827Oprea1_647407orb3022554SCHEMBL2092284SCHEMBL4324560SCHEMBL11841171
Show more names
AKOS B004028TIMTEC-BB SBB007010ART-CHEM-BB B004028Piperazine, 1-[(3,4-dimethoxyphenyl)methyl]-
SCHEMBL29756433DTXSID20366892TPL0518HBA23107SMSF0013185GS2164SBB007010STK350762
Database identifiers
- CAS
32231-07-5- PubChem CID
- 2188108
- DTXSID
DTXSID20366892
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 33.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Boiling point
- 343.6 · 343.6±37.0 °C(Predicted)
- Density
- 1.074 · 1.074±0.06 g/cm3(Predicted)
- pka
- 9.11 · 9.11±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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