Basic information
- CAS
40944-05-6- Standard SMILES
OC(COc1ccccc1)CN1CCNCC1- InChIKey
MWEXFYJNMHVCPG-UHFFFAOYSA-N- Molecular formula
- C13H20N2O2
- Average molar mass
- 236.31 g/mol
- Monoisotopic mass
- 236.15247789
Names & identifiers
- Preferred name
- 1-Phenoxy-3-piperazinopropan-2-ol
- IUPAC
- 1-phenoxy-3-piperazin-1-ylpropan-2-ol
- English name
- 1-Phenoxy-3-piperazinopropan-2-ol
- Molecular formula
- C13H20N2O2
- Molecular weight
- 236.31
Names & synonyms
40944-05-61-Phenoxy-3-piperazinopropan-2-ol1-phenoxy-3-(piperazin-1-yl)propan-2-ol1-phenoxy-3-piperazin-1-ylpropan-2-olMaybridge1_002270Oprea1_355515Oprea1_709301SCHEMBL5878421SCHEMBL9014316HMS547P04DTXSID303843403-phenoxy-1-piperazinylpropan-2-ol
Show more names
1-Piperazineethanol, α-(phenoxymethyl)-
CCG-50380MFCD00218466STK723356AKOS000623774AKOS0160500611-phenoxy-3-(1-piperazinyl)-2-propanolCS-0258742ST50011947
Database identifiers
- CAS
40944-05-6- PubChem CID
- 2802152
- DTXSID
DTXSID30384340- EC Number
- 127-296-5
- Nikkaji
- J839.530F
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 44.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Boiling point
- 404.7 · 404.7±40.0 °C(Predicted)
- Density
- 1.104 · 1.104±0.06 g/cm3(Predicted)
- pka
- 14.15 · 14.15±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
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%)
Safety data
- Symbol(GHS)
- GHS07
Chemistry & industry
Suppliers2 total
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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