piperidine hydrochloride

• ChemBase ID: 76876
• Molecular Formular: C5H12ClN
• Molecular Mass: 121.60848
• Monoisotopic Mass: 121.06582707
• SMILES: N1CCCCC1.Cl
• Canonical SMILES: C1CCCNC1.Cl
• InChI: InChI=1S/C5H11N.ClH/c1-2-4-6-5-3-1;/h6H,1-5H2;1H
• InChIKey: VEIWYFRREFUNRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidine hydrochloride
• IUPAC Traditional name: piperidine hydrochloride
• Synonyms: Piperidine hydrochloride; Piperidine hydrochloride; 哌啶 盐酸盐; 哌啶盐酸盐

Database IDs

• CAS Number: 6091-44-7
• EC Number: 228-033-8
• MDL Number: MFCD00012770
• Beilstein Number: 3611699
• PubChem SID: 24898558; 162041778; 24887579
• PubChem CID: 2723721

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.5751903
• LogD (pH = 7.4): -2.1490471
• Log P: 0.65748763
• Molar Refractivity: 26.8354 cm^3
• Polarizability: 10.75224 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 245-248 °C(lit.); 245-248°C; 245-250 °C
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F
• Vapor Pressure: 63.6 mmHg ( 37.8 °C)
• Vapor Density: 2.94 (vs air)

Safety Information

• Storage Warning: Hygroscopic; Toxic
• RTECS: TN0400000
• European Hazard Symbols: Toxic (T)
• UN Number: 2811; UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 25; 25-37
• Safety Statements: 36/37/39-45; 36-45
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301
• GHS Precautionary statements: P264-P270-P301+P310-P321-P405-P501A; P301 + P310
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: ≥99.0% (AT); 95+%; 99%
• Grade: purum
• Quality: crystallized
• Empirical Formula (Hill Notation): C5H11N · HCl

DETAILS

Sigma Aldrich - P46105

Packaging
100, 500 g in glass bottle
Application
Reagent for synthesis of:
• Quinoline selenium compounds1
• Peripheral seratonin 5-HT3 receptor ligands2Reactant for synthesis of phthalazinone derivatives as topically active phosphodiesterase 4 inhibitors3Reactant for:
• Mannich reactions4
• Asymmetric hydrogenation of quinolines5
• Chemoselective reductive amination of carbonyl compounds6

Sigma Aldrich - 80680

Application
Reagent for synthesis of:
• Quinoline selenium compounds1
• Peripheral seratonin 5-HT3 receptor ligands2Reactant for synthesis of phthalazinone derivatives as topically active phosphodiesterase 4 inhibitors3Reactant for:
• Mannich reactions4
• Asymmetric hydrogenation of quinolines5
• Chemoselective reductive amination of carbonyl compounds6