1-(2,6-Xylyl)piperazine
Basic information
- CAS
1012-91-5- Standard SMILES
Cc1cccc(C)c1N1CCNCC1- InChIKey
JDVUSTNITSGJOH-UHFFFAOYSA-N- Molecular formula
- C12H18N2
- Average molar mass
- 190.28 g/mol
- Monoisotopic mass
- 190.14699858
Names & identifiers
- Preferred name
- 1-(2,6-Xylyl)piperazine
- IUPAC
- 1-(2,6-dimethylphenyl)piperazine
- English name
- 1-(2,6-Dimethylphenyl)piperazine
- Molecular formula
- C12H18N2
- Molecular weight
- 190.28
Names & synonyms
1-(2,6-dimethylphenyl)piperazine1012-91-51-(2,6-Xylyl)piperazineEINECS 213-791-4DTXSID70143776RefChem:420697DTXCID3066267213-791-4Piperazine, 1-(2,6-dimethylphenyl)-Piperazine, 1-(2,6-xylyl)-MFCD000380091-(2,6-dimethyl-phenyl)-piperazine
Show more names
Dimethylphenylpiperazine1-(2,6-Dimethylphenyl)piperazine,90%1-(2,6-Dimethylphenyl)piperazine 97%
6FD6M9XAW2SCHEMBL336283SCHEMBL1448499BAA012914-(2,6-Dimethylphenyl) piperazineGS1417AKOS003884887FS-1658
Database identifiers
- CAS
1012-91-5- PubChem CID
- 70538
- DTXSID
DTXSID70143776- UNII
- 6FD6M9XAW2
- EC Number
- 213-791-4
- Nikkaji
- J217.131G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 92 °C · 92 °C
- Density
- 0.999 · 0.999±0.06 g/cm3(Predicted)
- pka
- 8.96 · 8.96±0.10(Predicted)
- CAS DataBase Reference
- 1012 · 1012-91-5(CAS DataBase Reference)
- FDA UNII
- 6 FD6M9XAW2 · 6FD6M9XAW2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-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 · 36/37/38-36
- 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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- risk_code
- 36/37/38-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
38 records
Compound notes
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