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Ethanol, 2-amino-,1-(hydrogen sulfate)

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Name

Ethanol, 2-amino-,1-(hydrogen sulfate)

EINECS 213-135-7
CAS No. 926-39-6 Density 1.566 g/cm3
PSA 98.00000 LogP 0.54560
Solubility almost transparency Melting Point 277 °C (dec.)(lit.)
Formula C2H7NO4S Boiling Point 296.49℃[at 101 325 Pa]
Molecular Weight 141.148 Flash Point N/A
Transport Information N/A Appearance white to slightly beige fine crystalline powder
Safety 26-36 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 926-39-6 (2-AMINOETHYL HYDROGEN SULFATE) Hazard Symbols HarmfulXn
Synonyms

Ethanol,2-amino-, hydrogen sulfate (7CI);Ethanol, 2-amino-, hydrogen sulfate (ester)(8CI,9CI);Ethanol, 2-amino-, sulfate (6CI);2-Aminoethanol hydrogen sulfate(ester);2-Aminoethyl hydrogen sulfate;2-Aminoethyl sulfate;2-Aminoethylsulfuric acid;Ethanolamine O-sulfate;Ethanolamine sulfate;Mono(2-aminoethyl)sulfate;NSC 204188;NSC 3532;WAS-34;

Article Data 29

Ethanol, 2-amino-,1-(hydrogen sulfate) Synthetic route

141-43-5

ethanolamine

926-39-6

sulfuric acid mono-(2-amino-ethyl ester)

Conditions
ConditionsYield
With sulfuric acid; tetrabutylammomium bromide In toluene at 40℃; for 1.5h;99%
With sulfuric acid In water at -5 - 5℃; for 0.5h;90.72%
With sulfuric acid89%
151-56-4

ethyleneimine

926-39-6

sulfuric acid mono-(2-amino-ethyl ester)

Conditions
ConditionsYield
With sulfuric acid
497-25-6

dimethylenecyclourethane

926-39-6

sulfuric acid mono-(2-amino-ethyl ester)

Conditions
ConditionsYield
With sulfuric acid
2576-47-8

2-bromoethylamine hydrobromide

926-39-6

sulfuric acid mono-(2-amino-ethyl ester)

Conditions
ConditionsYield
With silver sulfate
141-43-5

ethanolamine

77-78-1

dimethyl sulfate

926-39-6

sulfuric acid mono-(2-amino-ethyl ester)

861555-02-4

(2-amino-ethyl)-nitroso-amidosulfuric acid

108-95-2

phenol

926-39-6

sulfuric acid mono-(2-amino-ethyl ester)

1072-53-3

ethyleneglycol sulfate

926-39-6

sulfuric acid mono-(2-amino-ethyl ester)

Conditions
ConditionsYield
With ammonia In dichloromethane
151-56-4

ethyleneimine

7664-93-9

sulfuric acid

926-39-6

sulfuric acid mono-(2-amino-ethyl ester)

7664-93-9

sulfuric acid

7446-11-9

sulfur trioxide

141-43-5

ethanolamine

926-39-6

sulfuric acid mono-(2-amino-ethyl ester)

N-nitroso-ethylenediamine-N-sulfonic acid

N-nitroso-ethylenediamine-N-sulfonic acid

926-39-6

sulfuric acid mono-(2-amino-ethyl ester)

Conditions
ConditionsYield
With phenol

Ethanol, 2-amino-,1-(hydrogen sulfate) Specification

The Ethanol, 2-amino-,1-(hydrogen sulfate), with the CAS registry number 926-39-6 and EINECS registry number 213-135-7, has the systematic name and IUPAC name of 2-aminoethyl hydrogen sulfate. It is a kind of white to slightly beige fine crystalline powder, and shoud be stored in the dry and cool environment. And the molecular formula of the chemical is C2H7NO4S.

The characteristics of Ethanol, 2-amino-,1-(hydrogen sulfate) are as followings: (1)ACD/LogP: -1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.53; (4)ACD/LogD (pH 7.4): -3.67; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 64.22 Å2; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 27.01 cm3; (15)Molar Volume: 90.1 cm3; (16)Polarizability: 10.71×10-24cm3; (17)Surface Tension: 69.6 dyne/cm; (18)Density: 1.566 g/cm3

Preparation of Ethanol, 2-amino-,1-(hydrogen sulfate): This chemical can be prepared by 2-amino-ethanol. The reaction will need reagent conc. sulfuric acid, and temperature 160°C. 

Uses of Ethanol, 2-amino-,1-(hydrogen sulfate): It can react with 2-Trifluormethyl-phenyl-isothiocyanat to produce (4,5-dihydro-thiazol-2-yl)-(2-trifluoromethyl-phenyl)-amine. This reaction will need reagent NaOH and 50% EtOH. And the yield is about 20%. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(O)OCCN
(2)InChI: InChI=1/C2H7NO4S/c3-1-2-7-8(4,5)6/h1-3H2,(H,4,5,6)
(3)InChIKey: WSYUEVRAMDSJKL-UHFFFAOYAA

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 2gm/kg (2000mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Neuropharmacology. Vol. 21, Pg. 803, 1982.
mouse LD50 oral 1100mg/kg (1100mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: EXCITEMENT
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 33(10), Pg. 57, 1989.

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