1-(pyridin-4-yl)piperazine

• ChemBase ID: 67262
• Molecular Formular: C9H13N3
• Molecular Mass: 163.21962
• Monoisotopic Mass: 163.11094743
• SMILES: N1(CCNCC1)c1ccncc1
• Canonical SMILES: N1CCN(CC1)c1ccncc1
• InChI: InChI=1S/C9H13N3/c1-3-10-4-2-9(1)12-7-5-11-6-8-12/h1-4,11H,5-8H2
• InChIKey: OQZBAQXTXNIPRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridin-4-yl)piperazine
• IUPAC Traditional name: 1-(pyridin-4-yl)piperazine
• Synonyms: 4-(1-Piperazinyl)pyridine; 1-(4-PYRIDYL)PIPERAZINE; 1-(Pyridin-4-yl)piperazine 97%; 4-Pyridylpiperazine; 4-Piperazinopyridine; 1-(4-Pyridyl)piperazine; 1-(4-吡啶)哌嗪; 4-哌嗪吡啶; 1-(4-吡啶基)哌嗪

Database IDs

• CAS Number: 1008-91-9
• EC Number: 213-764-7
• MDL Number: MFCD00040745
• Beilstein Number: 609705
• PubChem SID: 24887053; 162032998
• PubChem CID: 70517

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.629092
• LogD (pH = 7.4): -1.9294329
• Log P: 0.3276889
• Molar Refractivity: 49.0851 cm^3
• Polarizability: 18.730158 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 135-141°C; 136-141°C; 137-141 °C
• Boiling Point: 195-200°C/0.3mm; 195-200°C/0.3mm

Safety Information

• Storage Warning: Air Sensitive; Corrosive/Air Sensitive/Store under Argon; IRRITANT
• European Hazard Symbols: Corrosive (C)
• UN Number: 3259; UN3259
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3259 8/PG 2

Pharmacology Properties

• Gene Information: rat ... Chrnb2(54239)

Product Information

• Purity: ≥97.0% (GC); 95+%; 97%; 98%
• Impurities: ≤1% water
• Empirical Formula (Hill Notation): C9H13N3

DETAILS

Sigma Aldrich - 76763

Packaging
1 g in poly tube
5 g in poly bottle