4-(piperazin-1-yl)phenol

• ChemBase ID: 68840
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: N1(CCNCC1)c1ccc(cc1)O
• Canonical SMILES: Oc1ccc(cc1)N1CCNCC1
• InChI: InChI=1S/C10H14N2O/c13-10-3-1-9(2-4-10)12-7-5-11-6-8-12/h1-4,11,13H,5-8H2
• InChIKey: GPEOAEVZTOQXLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperazin-1-yl)phenol
• IUPAC Traditional name: 4-(piperazin-1-yl)phenol
• Synonyms: 4-(Piperazin-1-yl)phenol; 1-(4-Hydroxyphenyl)piperazine 98%; 1-(4-Hydroxyphenyl)piperazine; 4-(1-Piperazino)phenol; 4-(1-Piperazinyl)phenol; 1-(4-Hydroxyphenyl)piperazine; 4-Piperazinophenol; 1-(4-Hydroxyphenyl)piperazine; 4-1-哌嗪苯酚; 4-(1-哌嗪基)苯酚; 1-对羟基苯基哌嗪

Database IDs

• CAS Number: 56621-48-8
• EC Number: 260-289-6
• MDL Number: MFCD00066156
• Beilstein Number: 150964
• PubChem SID: 162034570; 24887225
• PubChem CID: 92467

CALCULATED PROPERTIES

• Acid pKa: 10.3171215
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.7720954
• LogD (pH = 7.4): -0.26652226
• Log P: 1.0325403
• Molar Refractivity: 53.2229 cm^3
• Polarizability: 20.234575 Å^3
• Polar Surface Area: 35.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 210°C; 218-224°C; 220-225 °C

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Corrosive (C); X; Irritant (Xi)
• UN Number: UN3263
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 22-34; 36/37/38
• Safety Statements: 26-36; 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H314-H318; H315-H319-H335
• GHS Precautionary statements: P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (NT); 95+%; 97%; 98%
• Empirical Formula (Hill Notation): C10H14N2O

DETAILS

Sigma Aldrich - 77732

Packaging
5 g in glass bottle