1-(2-methoxyethyl)piperazine

• ChemBase ID: 19312
• Molecular Formular: C7H16N2O
• Molecular Mass: 144.21474
• Monoisotopic Mass: 144.12626314
• SMILES: N1(CCOC)CCNCC1
• Canonical SMILES: COCCN1CCNCC1
• InChI: InChI=1S/C7H16N2O/c1-10-7-6-9-4-2-8-3-5-9/h8H,2-7H2,1H3
• InChIKey: BMEMBBFDTYHTLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)piperazine
• IUPAC Traditional name: 1-(2-methoxyethyl)piperazine
• Synonyms: 1-Methoxy-2-(piperazin-1-yl)ethane; 1-(2-Methoxyethyl)piperazine 98%; 1-(2-Methoxy-ethyl)-piperazine; 1-(2-Methoxyethyl)piperazine; 4-(2-Methoxyethyl)piperazine; N-(2-Methoxyethyl)piperazine; 1-(2-Methoxyethyl)piperazine; 1-(2-甲氧基乙基)哌嗪

Database IDs

• CAS Number: 13484-40-7
• MDL Number: MFCD00191214
• Beilstein Number: 105098
• PubChem SID: 160982619; 24874739
• PubChem CID: 2734638

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.6635807
• LogD (pH = 7.4): -2.3113425
• Log P: -0.3927344
• Molar Refractivity: 41.787 cm^3
• Polarizability: 16.638529 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 193-194 °C(lit.); 193-194°C
• Flash Point: 188.6 °F; 87 °C; 87°C
• Density: 0.97; 0.970 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.473; n20/D 1.4730(lit.)
• Partition Coefficient: -0.658
• Hydrophobicity(logP): -0.195

Safety Information

• Storage Warning: Corrosive/Air Sensitive/Store under Argon; IRRITANT
• European Hazard Symbols: Corrosive (C)
• UN Number: 2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: 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 2735 8/PG 3

Product Information

• Purity: ≥98.0% (GC); 95%; 95+%; 97%
• Grade: purum
• Empirical Formula (Hill Notation): C7H16N2O

DETAILS

Sigma Aldrich - 571423

Packaging
1 g in glass bottle
Warning
Air-sensitive - absorbs CO2
Application
Reactant for:
• Preparation of biologically and pharmacologically active molecules1,2,3,4,5

Sigma Aldrich - 70998

Warning
Air-sensitive - absorbs CO2
Application
Reactant for:
• Preparation of biologically and pharmacologically active molecules1,2,3,4,5