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3710-84-7

Basic Information
CAS No.: 3710-84-7
Name: Ethanamine,N-ethyl-N-hydroxy-
Molecular Structure:
Molecular Structure of 3710-84-7 (Ethanamine,N-ethyl-N-hydroxy-)
Formula: C4H11NO
Molecular Weight: 89.14
Synonyms: DEHA;Diethylhydroxylamine;N-Hydroxydiethylamine;N-ethyl-N-hydroxyethanamine;DEHA Acid;N,N-Diethylhydroxylamine;
EINECS: 223-055-4
Density: 0.897 g/cm3
Melting Point: -26--25 °C
Boiling Point: 133 °C at 760 mmHg
Flash Point: 45 °C
Solubility: soluble in water
Appearance: Colorless transparent liquid
Hazard Symbols: HarmfulXn
Risk Codes: 10-21-38-40-36/37/38-20/21
Safety: 36/37-45-36/37/39-26-16
Transport Information: UN 1993 3/PG 3
PSA: 23.47000
LogP: 0.71740
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Consensus Reports

Diethylhydroxylamine(3710-84-7) is reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Specification

The IUPAC name of Diethylhydroxylamine is N,N-diethylhydroxylamine. With the CAS registry number 3710-84-7, it is also named as N-Hydroxydiethylamine. The product's categories are Fine Chemical & Intermediate; Hydroxylamines; Hydroxylamines (N-Substituted); Nitrogen Compounds; Organic Building Blocks. It is colorless transparent liquid which is easily soluble in water, soluble in alcohol, ether, chloroform and benzene. In addition, this chemical is stable and incompatible with strong oxidizing agents, strong acids. Moreover, it should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.49; (4)ACD/LogD (pH 7.4): -0.1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.38; (8)ACD/KOC (pH 7.4): 20.95; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.433; (13)Molar Refractivity: 25.83 cm3; (14)Molar Volume: 99.3 cm3; (15)Polarizability: 10.24×10-24 cm3; (16)Surface Tension: 30.6 dyne/cm; (17)Enthalpy of Vaporization: 40.88 kJ/mol; (18)Vapour Pressure: 5.15 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Exact Mass: 89.084064; (21)MonoIsotopic Mass: 89.084064; (22)Topological Polar Surface Area: 23.5; (23)Heavy Atom Count: 6; (24)Complexity: 26.7.

Preparation of Diethylhydroxylamine: It can be obtained by the oxidation reaction of hydrogen peroxide aqueous solution and secondary amine at the presence of CdCl2 or ZnCl2.
 

Uses of Diethylhydroxylamine: It is a free radical scavenger which can be used in polymerization inhibitor, color stabilizer (photographics), oxygen scavenger (water treatment), corrosion inhibitor and discoloration inhibitor (phenolics). Additonally, it can react with N-phenyl-maleimide to get N-phenyl-3-[(N,N-dibenzylamino)oxy]pyrrolidine-2,5-dione. This reaction needs reagent tetrahydrofuran by heating. The reaction time is 9.5 hours. The yield is 46%.

When you are using this chemical, please be cautious about it as the following:
It is flammable, so people should keep it away from sources of ignition. This chemical is not only harmful by inhalation and in contact with skin, but also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 

People can use the following data to convert to the molecule structure.
1. SMILES:ON(CC)CC
2. InChI:InChI=1/C4H11NO/c1-3-5(6)4-2/h6H,3-4H2,1-2H3 
3. InChIKey:FVCOIAYSJZGECG-UHFFFAOYAL

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 skin 100uL/kg (0.1mL/kg)   Kodak Company Reports. Vol. 21MAY1971,
mouse LD80 oral 2150mg/kg (2150mg/kg)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 217, 1969.
mouse LDLo intraperitoneal 1750mg/kg (1750mg/kg)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 217, 1969.
rabbit LDLo skin 2gm/kg (2000mg/kg)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 217, 1969.
rat LDLo oral 1600mg/kg (1600mg/kg)   Kodak Company Reports. Vol. 21MAY1971,
rat LDLo skin 100mg/kg (100mg/kg)   Kodak Company Reports. Vol. 21MAY1971,