1-phenylpiperazine

• ChemBase ID: 69606
• Molecular Formular: C10H14N2
• Molecular Mass: 162.23156
• Monoisotopic Mass: 162.11569846
• SMILES: N1(CCNCC1)c1ccccc1
• Canonical SMILES: N1CCN(CC1)c1ccccc1
• InChI: InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2
• InChIKey: YZTJYBJCZXZGCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenylpiperazine
• IUPAC Traditional name: phenylpiperazine
• Synonyms: 1-Phenyl-piperazine; N-Phenyldiethylenediamine; 1-Phenylpiperazine; N-PHENYLPIPERAZINE; Phenylpiperazine; 1-Phenylpiperazine; 1-Phenylpiperazine; N-苯基哌嗪; 1-苯基哌嗪

Database IDs

• CAS Number: 92-54-6; 63921-23-3
• EC Number: 202-165-6
• MDL Number: MFCD00005957
• Beilstein Number: 132157
• PubChem SID: 162035332; 24898377
• PubChem CID: 7096
• CHEMBL: 9434
• Chemspider ID: 6829
• Wikipedia Title: Phenylpiperazine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4620405
• LogD (pH = 7.4): 0.052540626
• Log P: 1.5453613
• Molar Refractivity: 51.242 cm^3
• Polarizability: 19.658602 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: insoluble in water
• Apperance: clear colourless to yellow liquid
• Melting Point: 17-19°C; 18.8 °C; 18.8°C
• Boiling Point: 285-286°C; 286 °C(lit.); 286°C; 287.2°C @ 760mmHg
• Flash Point: 138.3°C; 140 °C; 140.5°C; 141°C(286°F); 284 °F
• Density: 1.028g/cm^3; 1.062 g/ml; 1.062 g/mL at 25 °C(lit.); 1.064
• Refractive Index: 1.5880; n20/D 1.588(lit.)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: IRRITANT
• RTECS: TM2625000
• European Hazard Symbols: Corrosive (C); Toxic (T)
• UN Number: 2922; 2927; UN2927
• German water hazard class: 3
• Hazard Class: 6.1; 8
• Packing Group: 2; II
• Australian Hazchem: 2XE
• Risk Statements: 22-24-34; R:22-27-34
• Safety Statements: 26-27-36/37/39-45; 26-36/37/39-45; S:26-28-29-36/37/39-45
• EU Classification: CT1
• EU Hazard Identification Number: 8B
• Emergency Response Guidebook(ERG) Number: 154
• TSCA Listed: false; 是
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H310-H314-H318; H301-H311-H314
• GHS Precautionary statements: P280H-P305+P351+P338-P361-P309-P310; P280-P301 + P310-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2922 8/PG 2

Pharmacology Properties

• Gene Information: mouse ... Htr3a(15561)rat ... Drd2(24318), Htr1a(24473)

Product Information

• Purity: 95+%; 97%; 98%; 98+%; 99%
• Empirical Formula (Hill Notation): C10H14N2

DETAILS

MP Biomedicals - 02151844

Purity: 99%
1 ml = approx. 1.06 g

Sigma Aldrich - P30004

Packaging
25, 100 g in glass bottle