ethyl piperazine-1-carboxylate

• ChemBase ID: 91258
• Molecular Formular: C7H14N2O2
• Molecular Mass: 158.19826
• Monoisotopic Mass: 158.1055277
• SMILES: N1(C(=O)OCC)CCNCC1
• Canonical SMILES: CCOC(=O)N1CCNCC1
• InChI: InChI=1S/C7H14N2O2/c1-2-11-7(10)9-5-3-8-4-6-9/h8H,2-6H2,1H3
• InChIKey: LNOQURRKNJKKBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl piperazine-1-carboxylate
• IUPAC Traditional name: ethyl piperazine-1-carboxylate
• Synonyms: N-Carboethoxy piperazine; Ethyl 1-piperazinecarboxylate 98%; N-CARBETHOXYPIPERAZINE; N-Carboethoxypiperazine; Ethyl piperazine-1-carboxylate; Ethyl piperazine-1-carboxylate; Ethyl N-piperazinecarboxylate; ETHYL-N-PIPERAZINECARBOXYLATE; 1-Ethoxycarbonylpiperazine; Piperazine-1-carboxylic acid ethyl ester; Ethyl 1-piperazinecarboxylate; 哌嗪-1-甲酸乙酯; 1-乙氧基羰基哌嗪; 1-哌嗪羧酸乙酯; N-哌嗪甲酸乙酯

Database IDs

• CAS Number: 120-43-4
• EC Number: 204-395-2
• MDL Number: MFCD00005964
• Beilstein Number: 125780
• PubChem SID: 162077962; 24894563
• PubChem CID: 8431

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4112535
• LogD (pH = 7.4): -0.6983987
• Log P: -0.14276546
• Molar Refractivity: 41.3869 cm^3
• Polarizability: 16.35 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 237°C; 272-274°C; 273 °C(lit.)
• Flash Point: 113 °C; 128°C(262°F); 235.4 °F
• Density: 1.08; 1.08 g/mL at 25 °C(lit.); 1.080
• Refractive Index: 1.4780; n20/D 1.477(lit.); n20/D 1.478

Safety Information

• Storage Warning: Toxic
• RTECS: TL1378000
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• UN Number: 2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 22; 36/37/38
• Safety Statements: 23-24/25; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302; H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 3

Product Information

• Purity: ≥98.0% (GC); 98%; 99%
• Grade: purum
• Empirical Formula (Hill Notation): C7H14N2O2

DETAILS

MP Biomedicals - 05209720

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05203869

MP Biomedicals Rare Chemical collection

Sigma Aldrich - E45600

Packaging
25, 100 g in glass bottle