2-(piperazin-1-yl)ethan-1-ol

• ChemBase ID: 69912
• Molecular Formular: C6H14N2O
• Molecular Mass: 130.18816
• Monoisotopic Mass: 130.11061308
• SMILES: N1(CCNCC1)CCO
• Canonical SMILES: OCCN1CCNCC1
• InChI: InChI=1S/C6H14N2O/c9-6-5-8-3-1-7-2-4-8/h7,9H,1-6H2
• InChIKey: WFCSWCVEJLETKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperazin-1-yl)ethan-1-ol
• IUPAC Traditional name: 1-piperazineethanol
• Synonyms: 2-Piperazinoethanol; Piperazine-1-ethanol; 1-(2-Hydroxyethyl)piperazine; 2-(piperazin-1-yl)ethanol; 1-Piperazineethanol; 1-(2-Hydroxyethyl)-piperazine; N-(2-Hydroxyethyl)piperazine; 2-(Piperazin-1-yl)ethan-1-ol; 1-(2-Hydroxyethyl)piperazine 97%; N-β-HYDROXYETHYLPIPERAZINE; (β-Hydroxyethyl)piperazine; 1-(2-Hydroxyethyl)piperazine; 1-(β-Hydroxyethyl)piperazine; 2-(1-Piperazinyl)ethanol; 2-(Piperazin-1-yl)ethanol; N-(2-Hydroxyethyl)piperazine; N-(2'-Hydroxyethyl)piperazine; N-(β-Hydroxyethyl)piperazine; NSC 26884; NSC 38969; NSC 60706; 1-Piperazineethanol; 1-哌嗪乙醇; 2-(1-哌嗪基)乙醇; 1-(2-羟乙基)哌嗪; N-(2-羟乙基)哌嗪

Database IDs

• CAS Number: 103-76-4
• EC Number: 203-142-3
• MDL Number: MFCD00005970
• Beilstein Number: 104361
• PubChem SID: 162035637; 24895538
• PubChem CID: 7677

CALCULATED PROPERTIES

• Acid pKa: 15.593101
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.3200088
• LogD (pH = 7.4): -2.9661326
• Log P: -1.0358609
• Molar Refractivity: 37.0358 cm^3
• Polarizability: 14.724356 Å^3
• Polar Surface Area: 35.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -39°C; -39°C
• Boiling Point: 242-246°C; 242-246°C; 246 °C(lit.)
• Flash Point: 135 °C; 135°C; 135°C(275°F); 275 °F
• Density: 1.06 g/ml; 1.060; 1.061; 1.061 g/mL at 25 °C(lit.)
• Refractive Index: 1.506; 1.5065; n20/D 1.506(lit.)

Safety Information

• Storage Warning: IRRITANT; Irritant/Corrosive
• RTECS: TL6825000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38; 38-41; R:36/37/38
• Safety Statements: 26-36/39; 26-37/39; S:20-25-26-37/39
• TSCA Listed: false; 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H318-H315
• GHS Precautionary statements: P261-P305 + P351 + P338; P280-P305+P351+P338-P302+P352-P321-P310-P362
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95+%; 97%; 98%; 98+%
• Empirical Formula (Hill Notation): C6H14N2O

DETAILS

MP Biomedicals - 02157446

(N-2-Piperazinoethanol)
1 ml = approx. 1.06 g

MP Biomedicals - 05213620

MP Biomedicals Rare Chemical collection

Sigma Aldrich - H28807

Packaging
100, 500 g in glass bottle

Toronto Research Chemicals - P480120

1-Piperazineethanol is a hydroxyalkyl substituted pieprazine used in the preparation of pharmaceutical compounds such as neuroleptic agents.

REFERENCES

• Franc, Z. et al.: Ces.-Slov. Farm., 32, 326 (1983)