diethylamine

• ChemBase ID: 103193
• Molecular Formular: C4H11N
• Molecular Mass: 73.13684
• Monoisotopic Mass: 73.08914936
• SMILES: CCNCC
• Canonical SMILES: CCNCC
• InChI: InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3
• InChIKey: HPNMFZURTQLUMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethylamine
• IUPAC Traditional name: diethylamine
• Synonyms: Diethylamine; N,N-Diethylamine; N-Ethyl-Ethanamine; 2,2'-Diethylamine; DIETHYLAMINE FREE BASE; Diethylamine; N-Ethyldimethylamine; N,N-Dimethylethylamine; 二乙胺; N,N-二甲基乙基胺

Database IDs

• CAS Number: 598-56-1; 109-89-7
• EC Number: 203-716-3; 209-940-8
• MDL Number: MFCD00009032; MFCD00009039
• Beilstein Number: 605268; 1696893
• Merck Index: 143111
• PubChem SID: 24893300; 162091274; 24864093; 24859070; 24870704
• PubChem CID: 8021
• CHEMBL: 1189
• Chemspider ID: 7730
• MeSH Name: diethylamine
• Unique Ingredient Identifier: B035PIS86W
• Wikipedia Title: Diethylamine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.7150512
• LogD (pH = 7.4): -2.3893538
• Log P: 0.5207374
• Molar Refractivity: 24.1906 cm^3
• Polarizability: 9.648022 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble1 M at 20 °C, clear, colorless; Miscible in water
• Apperance: Colourless liquid
• Melting Point: -140°C; -49.80°C (223.35K); -50 °C; -50 °C(lit.); -50°C
• Boiling Point: 36-37°C; 54.75 - 56.35°C (327.9 - 329.5 K); 54-55°C; 55 °C(lit.); ca. 56 °C at 1033 hPa
• Flash Point: -22 °C (closed cup); -23 °C; -28°C(-18°F); -36°C(-33°F); -9.4 °F
• Auto Ignition Point: 290 °C; 312 °C; 594 °F
• Density: .71 g/cm^3; 0.675; 0.706; 0.707 g/mL at 25 °C(lit.); 707.4 mg mL^-1
• Refractive Index: 1.3730; 1.385; 1.3860; n20/D 1.385(lit.); n20/D 1.386
• Vapor Pressure: 14.14 psi ( 55 °C); 180 mmHg ( 20 °C); 24.2–97.5 kPa; 260 hPa at 20 °C; 3.51 psi ( 20 °C)
• Vapor Density: 2.5 (air = 1); 2.5 (vs air)
• Partition Coefficient: 0.657
• Henry Constant: 150 μmol Pa^-1 kg^-1
• Odor: Ichtyal, ammoniacal
• Heat Capacity: 178.1 J K^-1 mol^-1
• Std enthalpy of combustion: -3.035 MJ mol^-1
• Std enthalpy of formation: -131 kJ mol^-1

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Air Sensitive; Light Sensitive
• RTECS: HZ8750000
• European Hazard Symbols: Corrosive (C); Flammable (F); X
• UN Number: 1154; UN1154; UN2733
• German water hazard class: 1
• Hazard Class: 3; 8
• Packing Group: 2; II
• Australian Hazchem: 2WE
• Risk Statements: 11-20/21/22-35; 11-20/22-34; R:11-20/21/22-35; r11, r20/21/22, r35
• Safety Statements: 3-16-26-29-36/37/39-45; 3-16-26-36-45; S:3-16-26-29-45-36/37/39; s1/2, s3, s16, s26, s29, s36/37/39
• EU Classification: FC
• EU Hazard Identification Number: 8A
• Emergency Response Guidebook(ERG) Number: 132
• TSCA Listed: 是
• EU Index: 612-003-00-X
• GHS Pictograms: GHS corrosion; GHS exclamation mark; GHS flame; GHS02; GHS05; GHS07
• GHS Signal Word: DANGER; Danger
• NFPA704:
  

  3

  3

  1
• Explode Limits: 1.8–10.1%; 10.1 %
• GHS Hazard statements: 225, 302, 312, 314, 332; H225-H302-H312-H314-H332; H225-H314-H302-H312-H332; H225-H314-H318-H302-H332
• GHS Precautionary statements: 210, 280, 305+351+338, 310; P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P280F-P235-P305+P351+P338-P309-P310; P210-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1154 3/PG 2

Product Information

• Purity: ≥98.0%; ≥99% (GC); ≥99.0%; ≥99.0% (GC); ≥99.5%; ≥99.5% (GC); 98%; 99%; 99.5%; 99+%
• Grade: puriss. p.a.; purum; reagent grade; SAJ first grade; SAJ special grade
• Ignition Residue: <0.1%
• Evaporation Residue: ≤0.001%
• Impurities: <0.0005% Phosphorus (P); ≤0.1% water
• Cation Traces: Al: <0.0005%; Al: ≤0.5 mg/kg; Ba: ≤0.1 mg/kg; Bi: ≤0.1 mg/kg; Ca: <0.0005%; Ca: ≤0.5 mg/kg; Cd: ≤0.05 mg/kg; Co: ≤0.02 mg/kg; Cr: ≤0.02 mg/kg; Cu: <0.0005%; Cu: ≤0.02 mg/kg; Fe: <0.0005%; Fe: ≤0.1 mg/kg; K: <0.005%; K: ≤0.5 mg/kg; Li: ≤0.1 mg/kg; Mg: <0.0005%; Mg: ≤0.1 mg/kg; Mn: ≤0.02 mg/kg; Mo: ≤0.1 mg/kg; Na: <0.005%; Na: ≤0.5 mg/kg; NH4+: <0.05%; Ni: ≤0.02 mg/kg; Pb: <0.001%; Pb: ≤0.1 mg/kg; Sr: ≤0.1 mg/kg; Zn: <0.0005%; Zn: ≤0.1 mg/kg
• Antion Traces: chloride (Cl-): <0.05%; sulfate (SO42-): <0.05%
• Purified By: redistillation
• Linear Formula: (C2H5)2NH

DETAILS

MP Biomedicals - 02150883

Free Base
1 ml = approx. 0.71 g
Used with ninhydrin to detect amino acids after chromatographic separation.

Sigma Aldrich - 543950

Legal Information
Product of Arkema Inc.

Sigma Aldrich - 386456

Packaging
1 L in Sure/Seal™
100 mL in Sure/Seal™

Sigma Aldrich - D0806

包装
1 L in glass bottle
250 mL in glass bottle

Sigma Aldrich - 471216

Packaging
1, 2, 2.5 L in glass bottle
18 L in steel drum
5, 100, 500, 6×500 mL in glass bottle

REFERENCES

• Alkali metal diethylamides, generated with n-BuLi or NaH, have been used for the cleavage of ethers: J. Organomet. Chem., 55, 41 (1973); Synthesis, 638 (1980), and of alkyl aryl sulfides, for which HBr and HI are usually poor: Synthesis, 583 (1982).
• In combination with Lithium aluminum hydride, A18116, generates lithium tris(diethylamino)aluminum hydride, which is a useful selective reducing agent, for example: esters to aldehydes: J. Org. Chem., 52, 5486 (1987); amides to aldehydes: Tetrahedron Lett., 32, 6903 (1991).