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111-41-1

Basic Information
CAS No.: 111-41-1
Name: 2-(2-Aminoethylamino)ethanol
Article Data: 36
Cas Database
Molecular Structure:
Molecular Structure of 111-41-1 (2-(2-Aminoethylamino)ethanol)
Formula: C4H12N2O
Molecular Weight: 104.152
Synonyms: (2-Hydroxyethyl)ethylenediamine;(b-Hydroxyethyl)ethylenediamine;2-(2-Hydroxyethylamino)ethylamine;2-(2'-Aminoethylamino)ethanol;A-EA;AminoAlcohol EA;Aminoethylethanolamine;N-(2-Aminoethyl)ethanolamine;N-(Hydroxyethyl)ethylenediamine;N-(b-Aminoethyl)ethanolamine;N-(b-Hydroxyethyl)-1,2-ethanediamine;N-(b-Hydroxyethyl)ethylenediamine;N-Ethanolethylenediamine;N-Hydroxyethyl-1,2-ethanediamine;
EINECS: 203-867-5
Density: 1.029 g/cm3
Melting Point: -28 °C
Boiling Point: 239.4 °C at 760 mmHg
Flash Point: 90.5 °C
Solubility: soluble in water
Appearance: clear colorless liquid with an ammonia-like odor
Hazard Symbols: ToxicT,CorrosiveC
Risk Codes: 34-43-61
Safety: 26-36/37/39-45-53-28A
Transport Information: UN 2735 8/PG 2
PSA: 58.28000
LogP: -0.38180
Synthetic route
3197-06-6

N,N-bis(2-hydroxyethyl)ethylidenediamine

1077-28-7, 62-46-4

Thioctic acid

111-41-1

2-(2-Aminoethylamino)ethanol

Conditions
ConditionsYield
Stage #1: Thioctic acid With 1,1'-carbonyldiimidazole In chloroform at 20℃; for 1h; Inert atmosphere;
Stage #2: N,N-bis(2-hydroxyethyl)ethylidenediamine In chloroform at 20℃; Inert atmosphere;
80%
107-21-1

ethylene glycol

A

110-85-0

piperazine

B

141-43-5

ethanolamine

C

111-41-1

2-(2-Aminoethylamino)ethanol

D

107-15-3

ethylenediamine

E

111-40-0

1,5-diamino-3-azapentane

F

111-42-2

2,2'-iminobis[ethanol]

Conditions
ConditionsYield
Stage #1: ethylene glycol With ammonia; hydrogen at 150℃; under 150015 Torr;
Stage #2: copper oxide; graphite; molybdenum oxide; nickel oxide; zirconium dioxide; mixture of at 170℃; under 150015 Torr;
A 6.8%
B 29%
C 5.7%
D 49.5%
E 3.9%
F 1.7%
With ammonia; hydrogen at 170 - 180℃; under 150015 Torr; Conversion of starting material;
With ammonia; water; hydrogen at 180℃; under 150015 Torr; Conversion of starting material;
With ammonia; hydrogen at 150 - 170℃; under 150015 Torr; Conversion of starting material;
With ammonia; hydrogen at 200℃; under 150015 Torr; Conversion of starting material;
75-21-8

oxirane

107-15-3

ethylenediamine

111-41-1

2-(2-Aminoethylamino)ethanol

Conditions
ConditionsYield
With water unter Kuehlung;
151-56-4

ethyleneimine

141-43-5

ethanolamine

111-41-1

2-(2-Aminoethylamino)ethanol

Conditions
ConditionsYield
With hydrogenchloride
at 145 - 160℃; unter Druck;
926-39-6

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

141-43-5

ethanolamine

111-41-1

2-(2-Aminoethylamino)ethanol

Conditions
ConditionsYield
With sodium hydroxide at 130℃;
141-43-5

ethanolamine

111-41-1

2-(2-Aminoethylamino)ethanol

Conditions
ConditionsYield
With carbon dioxide; water unter Druck;
107-15-3

ethylenediamine

107-07-3

2-chloro-ethanol

111-41-1

2-(2-Aminoethylamino)ethanol

107-15-3

ethylenediamine

107-07-3

2-chloro-ethanol

A

4439-20-7

N,N'-bis(2-hydroxyethyl)ethylene diamine

B

111-41-1

2-(2-Aminoethylamino)ethanol

Conditions
ConditionsYield
With water
3699-54-5

2-oxo-imidazolidine-1-ethanol

111-41-1

2-(2-Aminoethylamino)ethanol

Conditions
ConditionsYield
at 175℃; Kinetics; Hydrolysis;
926-39-6

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

7664-41-7

ammonia

aqueous NaOH

aqueous NaOH

A

111-41-1

2-(2-Aminoethylamino)ethanol

B

107-15-3

ethylenediamine

C

111-40-0

1,5-diamino-3-azapentane

Conditions
ConditionsYield
at 130℃; mit Dimethylamin und anderen Alkylaminen an Stelle von NH3 verlaeuft die Reaktion analog;
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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The N-Aminoethylethanolamine, with the CAS registry number 111-41-1, is also known as N-(2-Hydroxyethyl)-1,2-ethanediamine. It belongs to the product category of Organics. Its EINECS registry number is 203-867-5. This chemical's molecular formula is C4H12N2O and molecular weight is 104.15088. Its IUPAC name is called 2-(2-aminoethylamino)ethanol. This chemical's classification codes are Mutation Data; Skin / Eye Irritant.

Physical properties of N-Aminoethylethanolamine: (1)ACD/LogP: -1.69; (2)ACD/LogD (pH 5.5): -5.34; (3)ACD/LogD (pH 7.4): -4.1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.471; (12)Molar Refractivity: 29.24 cm3; (13)Molar Volume: 104.5 cm3; (14)Surface Tension: 41.2 dyne/cm; (15)Density: 0.996 g/cm3; (16)Flash Point: 90.5 °C; (17)Enthalpy of Vaporization: 55.35 kJ/mol; (18)Boiling Point: 239.4 °C at 760 mmHg; (19)Vapour Pressure: 0.00707 mmHg at 25°C.

Uses of N-Aminoethylethanolamine: it can be used to produce 4-acetylamino-N-[2-(2-hydroxy-ethylamino)-ethyl]-benzamide at temperature of 100 - 105 °C. This reaction will need solvent butan-2-ol with reaction time of 10 hours. The yield is about 58%.

N-Aminoethylethanolamine can be used to produce 4-acetylamino-N-[2-(2-hydroxy-ethylamino)-ethyl]-benzamide

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please 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 where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(CNCCO)N
(2)InChI: InChI=1S/C4H12N2O/c5-1-2-6-3-4-7/h6-7H,1-5H2
(3)InChIKey: LHIJANUOQQMGNT-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 1500mg/kg (1500mg/kg)   Environmental Space Science. English Translation of Kosmicheskaya Biologiya Meditsina. 1967-70.Vol. 2, Pg. 289, 1968.
guinea pig LD50 skin 1800uL/kg (1.8mL/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 269, 1944.
mouse LD50 oral 3550mg/kg (3550mg/kg)   Environmental Space Science. English Translation of Kosmicheskaya Biologiya Meditsina. 1967-70.Vol. 2, Pg. 289, 1968.
rabbit LD50 oral 2gm/kg (2000mg/kg)   Environmental Space Science. English Translation of Kosmicheskaya Biologiya Meditsina. 1967-70.Vol. 2, Pg. 289, 1968.
rabbit LD50 skin 3560uL/kg (3.56mL/kg)   Union Carbide Data Sheet. Vol. 7/19/1965,
rat LD50 intramuscular 2gm/kg (2000mg/kg)   Environmental Space Science. English Translation of Kosmicheskaya Biologiya Meditsina. 1967-70.Vol. 2, Pg. 289, 1968.
rat LD50 intraperitoneal 120mg/kg (120mg/kg)   Environmental Space Science. English Translation of Kosmicheskaya Biologiya Meditsina. 1967-70.Vol. 2, Pg. 289, 1968.
rat LD50 intravenous 417mg/kg (417mg/kg)   Environmental Space Science. English Translation of Kosmicheskaya Biologiya Meditsina. 1967-70.Vol. 2, Pg. 289, 1968.
rat LD50 oral 3gm/kg (3000mg/kg)   Union Carbide Data Sheet. Vol. 7/19/1965,
rat LD50 skin 2250mg/kg (2250mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 64, 1982.
rat LD50 subcutaneous 2250mg/kg (2250mg/kg)   Environmental Space Science. English Translation of Kosmicheskaya Biologiya Meditsina. 1967-70.Vol. 2, Pg. 289, 1968.