2-phenylpiperazine

• ChemBase ID: 53017
• Molecular Formular: C10H14N2
• Molecular Mass: 162.23156
• Monoisotopic Mass: 162.11569846
• SMILES: c1(ccccc1)C1NCCNC1
• Canonical SMILES: N1CCNC(C1)c1ccccc1
• InChI: InChI=1S/C10H14N2/c1-2-4-9(5-3-1)10-8-11-6-7-12-10/h1-5,10-12H,6-8H2
• InChIKey: RIMRLBGNCLMSNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylpiperazine
• IUPAC Traditional name: 2-phenylpiperazine
• Synonyms: 2-Phenylpiperazine; 2-Phenylpiperazine 97%; 2-Phenylpiperazine; 2-苯基哌嗪

Database IDs

• CAS Number: 5271-26-1
• EC Number: None
• MDL Number: MFCD01871362
• PubChem SID: 24882960; 162057780
• PubChem CID: 250673

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.0731115
• LogD (pH = 7.4): -0.6082303
• Log P: 1.0554334
• Molar Refractivity: 49.7316 cm^3
• Polarizability: 20.058712 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 75-80°C; 83-87 °C(lit.); 83-87°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Corrosive (C); X; Harmful (Xn)
• UN Number: UN3259
• German water hazard class: 2
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 22-34; 22-36/37/38
• Safety Statements: 26-36/37; 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H314-H318; H302-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, Faceshields, Gloves

Product Information

• Purity: 95%; 96%; 98%
• Empirical Formula (Hill Notation): C10H14N2

DETAILS

Sigma Aldrich - 638641

Packaging
5, 25 g in glass bottle