4-ethylmorpholine

• ChemBase ID: 109848
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: CCN1CCOCC1
• Canonical SMILES: CCN1CCOCC1
• InChI: InChI=1S/C6H13NO/c1-2-7-3-5-8-6-4-7/h2-6H2,1H3
• InChIKey: HVCNXQOWACZAFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethylmorpholine
• IUPAC Traditional name: 4-ethylmorpholine
• Synonyms: N-ETHYLMORPHOLINE, REAG; 4-Ethylmorpholine; 4-Ethylmorpholine; N-Ethylmorpholine; N-乙基吗啉; 4-乙基吗啉

Database IDs

• CAS Number: 100-74-3
• EC Number: 202-885-0
• MDL Number: MFCD00006177
• Beilstein Number: 102969
• PubChem SID: 24845744; 24846947; 162095286
• PubChem CID: 7525

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.9265534
• LogD (pH = 7.4): -0.20108935
• Log P: 0.32847697
• Molar Refractivity: 33.8112 cm^3
• Polarizability: 13.269628 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -63 °C(lit.); -63°C
• Boiling Point: 138-139°C; 139 °C(lit.)
• Flash Point: 27°C(80°F); 30 °C; 86 °F
• Density: 0.908; 0.91 g/mL at 20 °C(lit.)
• Refractive Index: 1.4413; n20/D 1.441(lit.); n20/D 1.442

Safety Information

• Storage Warning: Air Sensitive
• RTECS: QE4025000
• European Hazard Symbols: Corrosive (C); X
• UN Number: 2920; UN2734
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 10-21/22-34
• Safety Statements: 20-23-26-36/37/39-45; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302 + H332-H311-H314; H301-H311-H314-H318-H226
• GHS Precautionary statements: P210-P301+P310-P303+P361+P353-P305+P351+P338-P361-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 2920 8/PG 2

Product Information

• Purity: ≥97.0% (GC); 95+%; 97%; 98%
• Impurities: ≤3% 4-methylmorpholine
• Empirical Formula (Hill Notation): C6H13NO

DETAILS

MP Biomedicals - 05212785

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 109932

Packaging
100, 500 mL in glass bottle
4 L in glass bottle

REFERENCES

• Base for use in peptide and similar coupling reactions. For example, has been used in conjunction with ethyl chloroformate for the mild coupling of substituted aromatic acids with primary amines or for the coupling of N-hydroxysuccinimide active esters with peptide residues: J. Med. Chem., 34, 2328 (1991). Compare 4-Methylmorpholine, A12158. For peptide reagents, see Appendix 6.