1-(prop-2-en-1-yl)piperazine

• ChemBase ID: 11586
• Molecular Formular: C7H14N2
• Molecular Mass: 126.19946
• Monoisotopic Mass: 126.11569846
• SMILES: N1(CC=C)CCNCC1
• Canonical SMILES: C=CCN1CCNCC1
• InChI: InChI=1S/C7H14N2/c1-2-5-9-6-3-8-4-7-9/h2,8H,1,3-7H2
• InChIKey: ZWAQJGHGPPDZSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(prop-2-en-1-yl)piperazine
• IUPAC Traditional name: 1-(prop-2-en-1-yl)piperazine
• Synonyms: 1-(Prop-2-en-1-yl)piperazine; 1-Allylpiperazine 97%; 1-Allyl-piperazine; 1-Allylpiperazine; 1-烯丙基哌嗪

Database IDs

• CAS Number: 13961-36-9
• EC Number: 000-000-0
• MDL Number: MFCD00167970
• Beilstein Number: 507447
• PubChem SID: 24880331; 160974893
• PubChem CID: 806422

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8864236
• LogD (pH = 7.4): -1.5334837
• Log P: 0.38549092
• Molar Refractivity: 39.9062 cm^3
• Polarizability: 15.7311125 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 180-182°C; 180-182°C; 181-182 °C(lit.)
• Flash Point: 123.8 °F; 51 °C; 51°C; 51°C(123°F)
• Density: 0.902; 0.902 g/mL(lit.)
• Refractive Index: 1.4830; n20/D 1.483; n20/D 1.4830(lit.)
• Partition Coefficient: 0.086

Safety Information

• Storage Warning: Air Sensitive; Flammable/Corrosive/Air Sensitive/Store under Argon; IRRITANT
• European Hazard Symbols: Corrosive (C)
• UN Number: 2734; UN2920
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 10-34
• Safety Statements: 20-26-36/37/39-45; 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314; H314-H318-H226
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P280-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 2734 8/PG 2

Product Information

• Purity: ≥97.0% (GC); 95+%; 96%; 98+%
• Grade: purum
• Impurities: ≤0.5% water
• Empirical Formula (Hill Notation): C7H14N2

DETAILS

Sigma Aldrich - 566888

Packaging
1 g in glass bottle