2-(piperazin-1-yl)phenol

• ChemBase ID: 88681
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: N1(c2ccccc2O)CCNCC1
• Canonical SMILES: Oc1ccccc1N1CCNCC1
• InChI: InChI=1S/C10H14N2O/c13-10-4-2-1-3-9(10)12-7-5-11-6-8-12/h1-4,11,13H,5-8H2
• InChIKey: UORNTHBBLYBAJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperazin-1-yl)phenol
• IUPAC Traditional name: 2-(piperazin-1-yl)phenol
• Synonyms: 2-(1-Piperazino)phenol; 2-(1-Piperazinyl)phenol; 1-(2-Hydroxyphenyl)piperazine; 2-(Piperazin-1-yl)phenol; 1-(2-Hydroxyphenyl)piperazine 98%; 2-(Piperazin-1-yl)phenol; 2-(1-Piperazino)phenol; 1-(2-Hydroxyphenyl)piperazine; 2-(1-哌嗪基)苯酚; 2-(1-哌嗪基)苯酚; N-(2-羟苯基)哌嗪

Database IDs

• CAS Number: 1011-17-2
• EC Number: 213-782-5
• MDL Number: MFCD00190246
• Beilstein Number: 10646
• PubChem SID: 24885251; 162075602
• PubChem CID: 70530

CALCULATED PROPERTIES

• Acid pKa: 10.219043
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.747342
• LogD (pH = 7.4): -0.211269
• Log P: 1.000945
• Molar Refractivity: 53.2229 cm^3
• Polarizability: 20.236729 Å^3
• Polar Surface Area: 35.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 122-127°C; 125-129 °C; 125-129°C

Safety Information

• Storage Warning: Toxic/Irritant
• European Hazard Symbols: Corrosive (C); Toxic (T); X
• UN Number: 2811; UN3263
• German water hazard class: 3
• Hazard Class: 6.1; 8
• Packing Group: 3; III
• Risk Statements: 22-34; 25-36/37/38
• Safety Statements: 26-36/37/39-45; 26-37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H314-H318; H301-H315-H319-H335
• GHS Precautionary statements: P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C10H14N2O

DETAILS

Sigma Aldrich - 675016

Packaging
5 g in glass bottle