1-(3,4-Dimethoxyphenyl)piperazin-4-ium chloride
Basic information
- CAS
16015-72-8- Standard SMILES
COc1ccc(N2CC[NH2+]CC2)cc1OC.[Cl-]- InChIKey
WXLJIVYSDTVIHM-UHFFFAOYSA-N- Molecular formula
- C12H19ClN2O2
- Average molar mass
- 258.74 g/mol
- Monoisotopic mass
- 258.1135055
Names & identifiers
- Preferred name
- 1-(3,4-Dimethoxyphenyl)piperazin-4-ium chloride
- IUPAC
- 1-(3,4-dimethoxyphenyl)piperazin-4-ium chloride
- English name
- 1-(3,4-Dimethoxyphenyl)piperazine hydrochloride
- Molecular formula
- C12H19ClN2O2
- Molecular weight
- 258.75
Names & synonyms
TIMTEC-BB SBB0030963,4-Dimethoxyphenylpiperazine HCl1-(3,4-Dimethoxyphenyl)piperazineHClDimethoxyphenylpiperazinehydrochlorid1-(3,4-Dimethoxyphenyl)piperazine hydrochloride1-(3,4-Dimethoxy-phenyl)-piperazine-hydrochlorid
Database identifiers
- CAS
16015-72-8- PubChem CID
- 2736206
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Melting point
- 230 °C · 230°C
- CAS DataBase Reference
- 16015 · 16015-72-8(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- 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.
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
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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Related reactions
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Compound notes
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