1-ethylpiperazine

• ChemBase ID: 89510
• Molecular Formular: C6H14N2
• Molecular Mass: 114.18876
• Monoisotopic Mass: 114.11569846
• SMILES: N1(CCNCC1)CC
• Canonical SMILES: CCN1CCNCC1
• InChI: InChI=1S/C6H14N2/c1-2-8-5-3-7-4-6-8/h7H,2-6H2,1H3
• InChIKey: WGCYRFWNGRMRJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethylpiperazine
• IUPAC Traditional name: 1-ethylpiperazine
• Synonyms: 1-Ethylpiperazine; 1-Ethylpiperazine; N-乙基哌嗪; 1-乙基哌嗪

Database IDs

• CAS Number: 5308-25-8
• EC Number: 226-166-6; 226-166-8
• MDL Number: MFCD00059912
• Beilstein Number: 102971
• PubChem SID: 162076390; 24865989
• PubChem CID: 79196

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4818714
• LogD (pH = 7.4): -2.1601744
• Log P: 0.011049062
• Molar Refractivity: 35.4921 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -60°C
• Boiling Point: 157 °C(lit.); 157°C; 157°C
• Flash Point: 109.4 °F; 43 °C; 43°C(109°F); 47°C
• Density: 0.899; 0.899 g/mL at 25 °C(lit.)
• Refractive Index: 1.4690; n20/D 1.469(lit.)

Safety Information

• Storage Warning: Air Sensitive; Corrosive/Flammable
• RTECS: TM0815500
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: 1993; UN2733
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-34; 10-36/37/38
• Safety Statements: 26-36; 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335; H331-H314-H318-H226-H303
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: 95+%; 97%; 98%
• Empirical Formula (Hill Notation): C6H14N2

DETAILS

Sigma Aldrich - 415308

Packaging
50, 250 mL in glass bottle