N,N-diethylhydroxylamine

• ChemBase ID: 106952
• Molecular Formular: C4H11NO
• Molecular Mass: 89.13624
• Monoisotopic Mass: 89.08406398
• SMILES: CCN(O)CC
• Canonical SMILES: CCN(CC)O
• InChI: InChI=1S/C4H11NO/c1-3-5(6)4-2/h6H,3-4H2,1-2H3
• InChIKey: FVCOIAYSJZGECG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethylhydroxylamine
• IUPAC Traditional name: diethylhydroxylamine
• Synonyms: N,N-DIETHYLHYDROXYLAMINE TECHNICAL GRADE; N-Ethyl-N-hydroxy-ethanamine; Diethylhydroxylamine; N,N-diethyl hydroxyl amine; N,N-Diethylhydroxylamine; N,N-Diethylhydroxylamine solution; N,N-二乙基羟胺; N,N-二乙基羟胺 溶液

Database IDs

• CAS Number: 3710-84-7
• EC Number: 223-055-4
• MDL Number: MFCD00002126
• Beilstein Number: 1731349
• PubChem SID: 24859411; 24870888; 162093679; 24870745
• PubChem CID: 19463
• Chemspider ID: 18340
• MeSH Name: N,N-diethylhydroxylamine
• Unique Ingredient Identifier: 314I05EDVH
• Wikipedia Title: Diethylhydroxylamine

CALCULATED PROPERTIES

• Acid pKa: 15.580632
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.12029295
• LogD (pH = 7.4): 0.13865052
• Log P: 0.13888969
• Molar Refractivity: 25.9552 cm^3
• Polarizability: 10.242338 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Miscible in water
• Apperance: Colorless liquid
• Melting Point: -25 °C; -25°C; -26 - -25°C; -26--25 °C(lit.)
• Boiling Point: 125-130 °C; 125-130 °C(lit.); 125-130°C; 127.55°C (400.7K)
• Flash Point: 113 °F; 45 °C; 46°C(114°F)
• Density: 0.867; 0.867 g/mL at 25 °C(lit.); 0.902 g/mL at 25 °C; 867 mg mL^-1
• Refractive Index: 1.4215; n20/D 1.419; n20/D 1.420; n20/D 1.420(lit.)
• Vapor Pressure: 4 mmHg ( 0 °C); 500 Pa (at 0 °C)
• Vapor Density: 3.07 (vs air)
• Odor: Ammoniacal
• Heat Capacity: 370.8 J K^-1 mol^-1
• Std enthalpy of combustion: -2.97201–-2.97069 MJ mol^-1
• Std enthalpy of formation: -175.47–-174.03 kJ mol^-1

Safety Information

• Storage Warning: Hygroscopic
• RTECS: NC3500000
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 1993; UN1993
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-20/21-36/37/38-68; 10-20/21-36/38-53; r10, r21, r38
• Safety Statements: 26-36/37; 9-23-26-36/37; r36/37
• TSCA Listed: 是
• GHS Pictograms: GHS exclamation mark; GHS flame; GHS02; GHS06; GHS07; GHS08
• GHS Signal Word: WARNING; Warning
• LD50: 1.3 g kg^-1 (dermal, rabbit); 2.19 g kg^-1 (oral, rat)
• Explode Limits: 1.9–10%; 10 %
• GHS Hazard statements: 226, 312, 315, 319, 332; H226-H312 + H332-H315-H319; H311-H332-H315-H319-H335-H226-H341
• GHS Precautionary statements: 280, 305+351+338; P210-P303+P361+P353-P305+P351+P338-P361-P405-P501A; P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: ≥97.0% (GC); ≥98%; 97%
• Concentration: 85 wt. % in H2O
• Grade: purum; TECHNICAL
• Linear Formula: (C2H5)2NOH; (CH3CH2)2NOH

DETAILS

MP Biomedicals - 05202005

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 473235

Packaging
2 kg in glass bottle
250 g in glass bottle

Sigma Aldrich - 471593

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

REFERENCES

• Reagent for selective reduction of quinones to hydroquinones: Tetrahedron Lett., 1695 (1975).
• Perfluoroalkenes undergo a novel epoxidation with the reagent at room temperature: Chem. Commun., 763 (1996).