2-Methyl-1-(piperazin-1-yl)propan-2-ol
Basic information
- CAS
156339-46-7- Standard SMILES
CC(C)(O)CN1CCNCC1- InChIKey
MUIRIPUTKCTCGV-UHFFFAOYSA-N- Molecular formula
- C8H18N2O
- Average molar mass
- 158.24 g/mol
- Monoisotopic mass
- 158.1419132
Names & identifiers
- Preferred name
- 2-Methyl-1-(piperazin-1-yl)propan-2-ol
- IUPAC
- 2-methyl-1-piperazin-1-ylpropan-2-ol
- English name
- 1-Piperazineethanol,-alpha-,-alpha--dimethyl-(9CI)
- Molecular formula
- C8H18N2O
- Molecular weight
- 158.24
Names & synonyms
2-methyl-1-(piperazin-1-yl)propan-2-ol156339-46-7DTXSID302930442-methyl-1-[piperazin-1-yl]propan-2-olRefChem:262949DTXCID60244185869-928-92-methyl-1-piperazin-1-ylpropan-2-olMFCD105750041-Piperazineethanol,-alpha-,-alpha--dimethyl-(9CI)2-methyl-1-piperazin-1-yl-propan-2-ol2-Methyl-1-(1-piperazinyl)-2-propanol
Show more names
EOS-62014NSC 869691-Piperazineethanol, α,α-dimethyl-alpha,alpha-Dimethyl-1-piperazineethanol
1-Piperazineethanol, alpha,alpha-dimethyl-1-(2-hydroxy-2-methylpropyl)piperazineNSC86969NCIOpen2_001039SCHEMBL1088109SCHEMBL1394896MUIRIPUTKCTCGV-UHFFFAOYSA-NGGA33946
Database identifiers
- CAS
156339-46-7- PubChem CID
- 258202
- DTXSID
DTXSID30293044- EC Number
- 869-928-9
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Melting point
- 80.2 · 80.2-80.5 °C(Solv: hexane (110-54-3))
- Boiling point
- 262 ℃ · 262℃
- Density
- 0.978 · 0.978
- Flash point
- 112 ℃ · 112℃
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 15.09 · 15.09±0.29(Predicted)
- Appearance
- White to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933599590 · 2933599590
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
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
5 records
Compound notes
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