1-(2,4-Dimethoxyphenyl)piperazine
Basic information
- CAS
16015-75-1- Standard SMILES
COc1ccc(N2CCNCC2)c(OC)c1- InChIKey
XZXCBTBAADXWDD-UHFFFAOYSA-N- Molecular formula
- C12H18N2O2
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.13682782
Names & identifiers
- Preferred name
- 1-(2,4-Dimethoxyphenyl)piperazine
- IUPAC
- 1-(2,4-dimethoxyphenyl)piperazine
- English name
- 1-(2,4-Dimethoxyphenyl)piperazine
- Molecular formula
- C12H18N2O2
- Molecular weight
- 222.28
Names & synonyms
1-(2,4-dimethoxyphenyl)piperazine16015-75-1DTXSID40371201RefChem:222888DTXCID60322235673-698-31-(2,4-Dimethoxy-phenyl)-piperazine1-(2,4-dimethoxy-phenyl)piperazineMFCD00040794CHEMBL131525Piperazine, 1-(2,4-dimethoxyphenyl)-Dimethoxyphenylpiperazine
Show more names
1-(2,4-Dimethoxyphenyl)piperazine 97%
Oprea1_419126SCHEMBL233151SCHEMBL3482910SCHEMBL4143536SCHEMBL30747759XZXCBTBAADXWDD-UHFFFAOYSA-N4-(2,4-dimethoxyphenyl)piperazineSTR01824
Database identifiers
- CAS
16015-75-1- PubChem CID
- 2736204
- DTXSID
DTXSID40371201- ChEMBL
CHEMBL131525- EC Number
- 673-698-3
- Nikkaji
- J771.639G
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 33.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Boiling point
- 142 · 142-144°C 1mm
- Density
- 1.08 · 1.080±0.06 g/cm3(Predicted)
- pka
- 8.88 · 8.88±0.10(Predicted)
- CAS DataBase Reference
- 16015 · 16015-75-1(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- Hazard Note
- Irritant
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 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
11 records
Compound notes
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