Basic information
- CAS
122-96-3- Standard SMILES
OCCN1CCN(CCO)CC1- InChIKey
VARKIGWTYBUWNT-UHFFFAOYSA-N- Molecular formula
- C8H18N2O2
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.13682782
Names & identifiers
- Preferred name
- 1,4-Piperazinediethanol
- IUPAC
- 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
- English name
- 1,4-BIS(2-HYDROXYETHYL)PIPERAZINE
- Molecular formula
- C8H18N2O2
- Molecular weight
- 174.24
Names & synonyms
122-96-31,4-Piperazinediethanol1,4-Di(2-hydroxyethyl)piperazineDTXSID3029158UNII-EQ349PKX8YEINECS 204-586-0di(N-Hydroxyethyl)piperazineEQ349PKX8YNSC 31268NSC-31268NSC-36645BRN 0108245
Show more names
2-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]ETHANOLAKOS BB-49361,4-BIS(2-HYDROXYETHN,N'-PIPERAZINDIETHANOLN,N'-PIPERAZINEDIETHANOLpiperazine-1,4-diethanolPiperazine-1,4-bisethanolDI(HYDROXYETHYL)PIPERAZINEN,N'-Dihydroxyethylpiperazine
AI3-03876NSC-26892DTXCID8091585-23-01-00484 (Beilstein Handbook Reference)RefChem:73382N,N'Dihydroxyethylpiperazine1,4Di(2hydroxyethyl)piperazineN,N'Di(2hydroxyethyl)piperazine
Database identifiers
- CAS
122-96-3- PubChem CID
- 67151
- DTXSID
DTXSID3029158- ChEMBL
CHEMBL118235- UNII
- EQ349PKX8Y
- EC Number
- 204-586-0
- Nikkaji
- J1.038.075H、J20E
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 99.6
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Piperazines
SpringerMaterials PropertiesFusion temperature
Physical Description
Liquid
White crystalline powder; [Acros Organics MSDS]
Physicochemical properties
- Melting point
- 133.5 · 133.5-136 °C(lit.)
- Boiling point
- 215 · 215-220 °C50 mm Hg(lit.)
- Density
- 1.097 · 1.097
- vapor pressure
- 0.004 Pa · 0.004Pa at 20℃
- refractive index
- 1.454 · 1.4540 (estimate)
- Flash point
- 166 ℃ · 166℃
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- powder to crystal
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
H318 (94.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 113 reports by companies from 5 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
1,4-Piperazinediethanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,4-Piperazinediethanol are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Piperazine-1,4-diethanol (EC: 204-586-0)
Hazards SummaryA mild skin irritant; Oral LD50 (rat) = 3.73 mL/kg; Dermal LD50 (rabbit) > 10 mL/kg; [RTECS] An irritant; [Acros Organics MSDS]
Hazard Classes and CategoriesEye Dam. 1 (94.7%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TL3675000
- hs_code
- 2933.59.9500
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 250,000 - <400,000 lb
Industry UsesSolvent
General Manufacturing Information
Petroleum Refineries
1,4-Piperazinediethanol: ACTIVE
Applications
Uses1,4-Piperazinediethanol is useful in the synthesis of salt-inducible kinase inhibitors for the treatment of diseases.
Upstream & downstream products
Upstream raw materials
Related reactions
7 records
Compound notes
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