1-hexylpiperazine

• ChemBase ID: 34668
• Molecular Formular: C10H22N2
• Molecular Mass: 170.29508
• Monoisotopic Mass: 170.17829871
• SMILES: N1(CCCCCC)CCNCC1
• Canonical SMILES: CCCCCCN1CCNCC1
• InChI: InChI=1S/C10H22N2/c1-2-3-4-5-8-12-9-6-11-7-10-12/h11H,2-10H2,1H3
• InChIKey: WRFUXAYDZDQDKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-hexylpiperazine
• IUPAC Traditional name: 1-hexylpiperazine
• Synonyms: 1-Hexylpiperazine; 1-(Hex-1-yl)piperazine 97%; 1-Hexylpiperazine; 1-己基哌嗪

Database IDs

• CAS Number: 51619-55-7
• MDL Number: MFCD01075185
• Beilstein Number: 7853961
• PubChem SID: 160997975; 24890058
• PubChem CID: 2736513

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6018896
• LogD (pH = 7.4): -0.2694151
• Log P: 1.8672775
• Molar Refractivity: 53.8191 cm^3
• Polarizability: 21.50448 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 98-103°C/10mm
• Density: 0.877 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.466

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥98.0% (GC)
• Empirical Formula (Hill Notation): C10H22N2

DETAILS

Sigma Aldrich - 94817

Packaging
5 g in glass bottle