1-[(4-Ethoxyphenyl)methyl]piperazine
Basic information
- CAS
21867-70-9- Standard SMILES
CCOc1ccc(CN2CCNCC2)cc1- InChIKey
UBALQHBNQQCDGM-UHFFFAOYSA-N- Molecular formula
- C13H20N2O
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.15756327
Names & identifiers
- Preferred name
- 1-[(4-Ethoxyphenyl)methyl]piperazine
- IUPAC
- 1-[(4-ethoxyphenyl)methyl]piperazine
- English name
- 1-(4-ETHOXYBENZYL)PIPERAZINE
- Molecular formula
- C13H20N2O
- Molecular weight
- 220.31
Names & synonyms
21867-70-91-[(4-ethoxyphenyl)methyl]piperazine1-((4-Ethoxyphenyl)methyl)piperazineRefChem:222127891-507-31-(4-ethoxybenzyl)piperazine1-(4-Ethoxy-benzyl)-piperazine435345-38-3Piperazine,1-[(4-ethoxyphenyl)methyl]-MFCD02256029BAS 04443803Oprea1_384525
Show more names
Piperazine, 1-[(4-ethoxyphenyl)methyl]-1-(4-ethoxybenzyl)piperazine(SALTDATA: 2HCl)
Oprea1_561958SCHEMBL1780598SCHEMBL6002298DTXSID601289803WAA86770SBB023714STK3507711-ethoxy-4-(piperazinylmethyl)benzene
Database identifiers
- CAS
21867-70-9- PubChem CID
- 796533
- DTXSID
DTXSID601289803- EC Number
- 891-507-3
- Nikkaji
- J3.095.069K
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 24.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 184
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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