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N-Ethyl-N-hydroxyethylaniline

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Name

N-Ethyl-N-hydroxyethylaniline

EINECS 202-160-9
CAS No. 92-50-2 Density 1.046 g/cm3
PSA 23.47000 LogP 1.50520
Solubility 4.975g/L(20 oC) Melting Point 36-38 °C(lit.)
Formula C10H15NO Boiling Point 278.5 °C at 760 mmHg
Molecular Weight 165.235 Flash Point 131 °C
Transport Information N/A Appearance clear yellow liquid after melting
Safety 36/37/39-26 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 92-50-2 (N-Ethyl-N-hydroxyethylaniline) Hazard Symbols HarmfulXn
Synonyms

Ethanol,2-(N-ethylanilino)- (6CI,7CI,8CI);2-(Ethylphenylamino)ethanol;2-(N-Ethylanilino)ethanol;Ethylphenylethanolamine;N-(2-Hydroxyethyl)-N-ethylaniline;N-Ethyl-N-(2-hydroxyethyl)aniline;N-Ethyl-N-phenylaminoethanol;NSC 7485;b-Ethylanilinoethyl alcohol;

Article Data 26

N-Ethyl-N-hydroxyethylaniline Specification

The Ethanol,2-(ethylphenylamino)-, with CAS registry number 92-50-2, belongs to the following product categories: (1)Intermediates of Dyes and Pigments; (2)Amino Alcohols; (3)Organic Building Blocks; (4)Oxygen Compounds. It has the systematic name of 2-[ethyl(phenyl)amino]ethanol. This chemical is a kind of clear yellow liquid after melting. What's more, its EINECS is 202-160-9.

Physical properties of Ethanol,2-(ethylphenylamino)-: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.47; (4)ACD/LogD (pH 7.4): 2.08; (5)ACD/BCF (pH 5.5): 5.4; (6)ACD/BCF (pH 7.4): 22.31; (7)ACD/KOC (pH 5.5): 76.89; (8)ACD/KOC (pH 7.4): 317.52; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 51.36 cm3; (15)Molar Volume: 157.9 cm3; (16)Polarizability: 20.36×10-24cm3; (17)Surface Tension: 43.4 dyne/cm; (18)Enthalpy of Vaporization: 54.62 kJ/mol; (19)Vapour Pressure: 0.00204 mmHg at 25°C.

Uses of Ethanol,2-(ethylphenylamino)-: it can be used to produce 1-bromo-4-[N-ethyl, N-(2-hydroxyethyl)amino]benzene. This reaction will need reagents Bu4NBr, Br2, MeOH and solvent CH2Cl2. The yield is about 88%.

When you are using this chemical, please be cautious about it as the following:
The Trimesic acid irritates to eyes, respiratory system and skin. This chemical is harmful if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCN(c1ccccc1)CC
(2)InChI: InChI=1/C10H15NO/c1-2-11(8-9-12)10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3
(3)InChIKey: HYVGFUIWHXLVNV-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C10H15NO/c1-2-11(8-9-12)10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3
(5)Std. InChIKey: HYVGFUIWHXLVNV-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2360mg/kg (2360mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(1), Pg. 50, 1986.
rat LD50 oral 1640mg/kg (1640mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(1), Pg. 50, 1986.

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