2-(piperazin-1-yl)ethan-1-amine

• ChemBase ID: 70409
• Molecular Formular: C6H15N3
• Molecular Mass: 129.2034
• Monoisotopic Mass: 129.1265975
• SMILES: C(CN1CCNCC1)N
• Canonical SMILES: NCCN1CCNCC1
• InChI: InChI=1S/C6H15N3/c7-1-4-9-5-2-8-3-6-9/h8H,1-7H2
• InChIKey: IMUDHTPIFIBORV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperazin-1-yl)ethan-1-amine
• IUPAC Traditional name: aminoethylpiperazine
• Synonyms: 2-(Piperazin-1-yl)ethanamine; 1-(2-Aminoethyl)piperazine; N-(2-AMINOETHYL)PIPERAZINE; 1-Piperazineethylamine; 2-(1-Piperazinyl)ethylamine; AEe; N-AEe; N-(2-Aminoethyl)piperazine; 2-Piperazinoethylamine; 1-(2-Aminoethyl)piperazine; 1-Piperazine ethanamine; 1-Aminoethylpiperazine; Aminoethylpiperazine; 1-(2-氨乙基)哌嗪; 2-(1-哌嗪基)乙胺

Database IDs

• CAS Number: 140-31-8
• EC Number: 205-411-0
• MDL Number: MFCD00005971
• Beilstein Number: 104363
• PubChem SID: 162036128; 24890984
• PubChem CID: 8795
• CHEMBL: 209790
• Chemspider ID: 8465
• Wikipedia Title: Aminoethylpiperazine

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -7.2240725
• LogD (pH = 7.4): -4.8858356
• Log P: -1.1427428
• Molar Refractivity: 38.6933 cm^3
• Polarizability: 15.640824 Å^3
• Polar Surface Area: 41.29 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Fully miscible in water
• Apperance: Colourless to yellowish liquid
• Melting Point: -18°C; -19 °C; -19°C
• Boiling Point: 218-222 °C(lit.); 222 °C; 222°C; 222°C
• Flash Point: 197.6 °F; 92 °C; 93 °C; 93°C(199°F)
• Auto Ignition Point: 315 °C
• Density: 0.983; 0.984 g/cm^3 at 20 °C; 0.984 g/ml; 0.985 g/mL at 25 °C(lit.)
• Refractive Index: 1.5000; n20/D 1.5(lit.)
• Vapor Pressure: 0.05 mmHg ( 20 °C); 0.076 mmHg @ 20°C
• Vapor Density: 4.4 (vs air)

Safety Information

• Storage Warning: Air Sensitive; IRRITANT
• RTECS: TK8050000
• European Hazard Symbols: Corrosive (C); X
• UN Number: 2815; UN2815
• German water hazard class: 2
• Hazard Class: 8
• Packing Group: 3; III
• Risk Statements: 21/22-34-43-52/53; R:21/22-34-43-52/53; R21 R22 R43 R52 R53
• Safety Statements: 26-36/37/39-45-61; S:26-45-61-36/37/39; S26 S36 S37 S39 S45 S61
• TSCA Listed: false; 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• Main Hazard: harmful, corrosive, sensitizing
• NFPA704:
  

  2

  2

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• GHS Hazard statements: H302-H312-H314-H317-H412; H314-H302-H312-H317-H227-H412
• GHS Precautionary statements: P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A; P273-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 2815 8/PG 3

Product Information

• Purity: 95+%; 97%; 98%; 99%
• Empirical Formula (Hill Notation): C6H15N3

DETAILS

MP Biomedicals - 05210453

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A55209

Packaging
100, 500 g in glass bottle
Application
Utilized in a variety of reactions for studying corrosion inhibition,1 biological activity,2 and metal ligand effects on catalysis.3