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Diethylenetriamine
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Name

Diethylenetriamine

 EINECS 203-865-4
CAS No. 111-40-0 Density 0.951 g/cm3
PSA 64.07000 LogP 0.28490
Solubility miscible with water Melting Point -40 °C
Formula C4H13N3 Boiling Point 206.899 °C at 760 mmHg
Molecular Weight 103.167 Flash Point 94.444 °C
Transport Information UN 2079 8/PG 2 Appearance colourless liquid
Safety 26-36/37/39-45 Risk Codes 21/22-34-43
Molecular Structure Molecular Structure of 111-40-0 (Diethylenetriamine) Hazard Symbols CorrosiveC
Synonyms

1,2-Ethanediamine,N-(2-aminoethyl)- (9CI);Diethylenetriamine (8CI);1,4,7-Triazaheptane;1,5-Diamino-3-azapentane;2,2'-Diaminodiethylamine;2,2'-Iminobis(ethanamine);2-(2-Aminoethylamino)ethylamine;3-Azapentane-1,5-diamine;Ancamine DETA;Bis(2-aminoethyl)amine;Bis(b-aminoethyl)amine;ChS-P 1;DEH 20;Epicure 3223;Epicure 3290;Epicure T;Epon 3223;H 9506;JER Cure T;JER-T;N,N-Bis(2-aminoethyl)amine;N-(2-Aminoethyl)-1,2-ethanediamine;N-(2-Aminoethyl)ethylenediamine;NCI138881;NSC 446;Diethylenetriamine;

Article Data 86

Diethylenetriamine Synthetic route

628-87-5

iminodiacetonitrile

A

110-85-0

piperazine

B

111-40-0

1,5-diamino-3-azapentane

Conditions
ConditionsYield
With ammonia; hydrogen; potassium hydroxide In ethanol at 80℃; under 90009 Torr; Pressure; Reagent/catalyst; Solvent; Temperature; Time;A 1.03%
B 97.53%
151-56-4

ethyleneimine

107-15-3

ethylenediamine

111-40-0

1,5-diamino-3-azapentane

Conditions
ConditionsYield
With iron(II) sulfate at 150℃; for 2h; Autoclave;93%
palladium at 120℃; for 12h;81%
With hydrogenchloride In water at 35℃; Kinetics; Thermodynamic data; ring opening reactions, at various temperature, Ea is given;
99708-65-3

[C5H4NCH2Cr(NH((CH2)2NH2)2)]Cl2

A

4916-58-9

1,2-di-(3-pyridyl)-ethane

B

108-99-6

3-Methylpyridine

C

14873-01-9

chromium(III) hexahydrate cation

D

111-40-0

1,5-diamino-3-azapentane

Conditions
ConditionsYield
In perchloric acid Kinetics; (N2); decompn. of Cr complex in 1 M HClO4 depending on temp. under anaerobic conditions; not isolated, monitored by UV;A 30%
B 55%
C n/a
D n/a
In perchloric acid Kinetics; decompn. of Cr complex in 1 M HClO4 depending on temp. under aerobic conditions; not isolated, monitored by UV;A 38%
B 48%
C n/a
D n/a
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;
...Expand
63563-83-7

bis(phthalimidylethyl)amine

111-40-0

1,5-diamino-3-azapentane

Conditions
ConditionsYield
With hydrogenchloride; water
926-39-6

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

107-15-3

ethylenediamine

111-40-0

1,5-diamino-3-azapentane

Conditions
ConditionsYield
With sodium hydroxide; water at 104℃;
With sodium hydroxide; water at 104℃;
107-06-2

1,2-dichloro-ethane

111-40-0

1,5-diamino-3-azapentane

Conditions
ConditionsYield
With ammonia
With ammonia; water at 115 - 120℃;
4025-37-0

1-(2-amino-ethyl)-aziridine

111-40-0

1,5-diamino-3-azapentane

Conditions
ConditionsYield
With hydrogenchloride; ammonia; ammonium chloride In water at 50℃; Rate constant; Thermodynamic data; effect of the ammonia an d hydrochloric acid concn. and the temperature;
With hydrogenchloride; ammonia In water at 60℃; Thermodynamic data; ΔH(scission), activation energy;
151-56-4

ethyleneimine

ammonium chloride

7664-41-7

ammonia

A

110-85-0

piperazine

B

107-15-3

ethylenediamine

C

111-40-0

1,5-diamino-3-azapentane

Conditions
ConditionsYield
at 100℃; under 36775.4 Torr;
at 25℃; under 7355.08 Torr;
...Expand
1,7-di-p-toluenesulfonyl-triethylenediamine

1,7-di-p-toluenesulfonyl-triethylenediamine

111-40-0

1,5-diamino-3-azapentane

Conditions
ConditionsYield
With hydrogenchloride at 160℃;

Diethylenetriamine Consensus Reports

Reported in EPA TSCA Inventory.

Diethylenetriamine Standards and Recommendations

OSHA PEL: TWA 1 ppm
ACGIH TLV: TWA 1 ppm (skin)
DOT Classification:  8; Label: Corrosive

Diethylenetriamine Analytical Methods

For occupational chemical analysis use OSHA: #ID-60 or NIOSH: Diethylenetriamine, 2540.

Diethylenetriamine Specification

The Diethylenetriamine, with the CAS registry number 111-40-0,is also known as 2,2'-Diaminodiethylamine; 2,2'-Iminodi(ethylamine); DETA. It belongs to the product categories of Organics;organic amine. This chemical's molecular formula is C4H13N3 and molecular weight is 103.17.Its EINECS number is 203-865-4. What's more,Its systematic name is Diethylenetriamine. It is a colourless liquid which is stable, incompatible with strong oxidizing agents, copper and its alloys,but absorbs carbon dioxide from the air. And it is used as chemical intermediate for reactive polyamide resins, fatty aminoamides, fatty imidazolines.

Physical properties about  Diethylenetriamine are:
(1)ACD/LogP:  -1.87; (2)# of Rule of 5 Violations:  1; (3)ACD/LogD (pH 5.5):  -5.98; (4)ACD/LogD (pH 7.4):  -5.73; (5)ACD/BCF (pH 5.5):  1.00; (6)ACD/BCF (pH 7.4):  1.00; (7)ACD/KOC (pH 5.5):  1.00; (8)ACD/KOC (pH 7.4):  1.00; (9)#H bond acceptors:  3; (10)#H bond donors:  5; (11)#Freely Rotating Bonds:  6; (12)Index of Refraction:  1.476; (13)Molar Refractivity:  31.246 cm3; (14)Molar Volume:  110.733 cm3; (15)Surface Tension:  39.3380012512207 dyne/cm; (16)Density:  0.932 g/cm3; (17)Flash Point:  94.444 °C; (18)Enthalpy of Vaporization:  44.315 kJ/mol; (19)Boiling Point:  206.899 °C at 760 mmHg; (20)Vapour Pressure:  0.23199999332428 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:C(CNCCN)N;
(2)Std. InChI:InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2;
(3)Std. InChIKey:RPNUMPOLZDHAAY-UHFFFAOYSA-N.

Safety Information of Diethylenetriamine:
The Diethylenetriamine is danger of cumulative effects and harmful in contact with skin and if swallowed .It may cause sensitization by skin contact .In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.When you use it ,wear suitable protective clothing, gloves and eye/face protection.In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .

The toxicity data of Diethylenetriamine are as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 skin 170uL/kg (.17mL/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 269, 1944.
guinea pig LD50 unreported 600mg/kg (600mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 37(7), Pg. 103, 1972.
mouse LD50 intraperitoneal 71mg/kg (71mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

GASTROINTESTINAL: PERITONITIS		 AMA Archives of Industrial Health. Vol. 17, Pg. 129, 1958.
mouse LD50 unreported 970mg/kg (970mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 37(7), Pg. 103, 1972.
rabbit LD50 skin 1090mg/kg (1090mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949.
rabbit LD50 unreported 970mg/kg (970mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 37(7), Pg. 103, 1972.
rat LCLo inhalation 70mg/m3/4H (70mg/m3)   National Technical Information Service. Vol. OTS0556409,
rat LD50 intraperitoneal 74mg/kg (74mg/kg) GASTROINTESTINAL: PERITONITIS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD		 AMA Archives of Industrial Health. Vol. 17, Pg. 129, 1958.
rat LD50 oral 1080mg/kg (1080mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD AMA Archives of Industrial Health. Vol. 17, Pg. 129, 1958.
rat LD50 unreported 970mg/kg (970mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 37(7), Pg. 103, 1972.

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