Name: 1,4,7,10,13-Pentaazatridecane
SKU: 112-57-2

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Basic Information

Molecular Structure:
CAS No.:	112-57-2
Name:	1,4,7,10,13-Pentaazatridecane

Formula:	C₈H₂₃N₅
Molecular Weight:	189.304
Synonyms:	1,2-Ethanediamine,N-(2-aminoethyl)-N'-[2-[(2-aminoethyl)amino]ethyl]- (9CI);Tetraethylenepentamine(8CI);1,11-Diamino-3,6,9-triazaundecane;1,4,7,10,13-Pentaazatridecane;3,6,9-Triaza-1,11-diaminoundecane;3,6,9-Triazaundecane-1,11-diamine;AncamineTEPA;Bis[2-(2-aminoethylamino)ethyl]amine;DEH 26;EthoxylatedTetraethylenepentamine;N-(2-Aminoethyl)-N'-(2-((2-aminoethyl)amino)ethyl)-1,2-ethanediamine;NSC 88603;T 11509;Tetren;
EINECS:	203-986-2
Density:	0.973 g/cm³
Melting Point:	-40 °C(lit.)
Boiling Point:	341.5 °C at 760 mmHg
Flash Point:	185 °C
Solubility:	Soluble in water
Appearance:	colourless to green-yellow viscous liquid
Hazard Symbols:	C,N
Risk Codes:	21/22-34-43-51/53
Safety:	26-36/37/39-45-61
Transport Information:	UN 2320 8/PG 3
PSA:	88.13000
LogP:	0.24590

Synthetic route

: 107-06-2
1,2-dichloro-ethane

A: 112-57-2
N-(2-aminoethyl)-N'-{2-[(2-aminoethyl)amino]ethyl}ethane-1,2-diamine

B: 107-15-3
ethylenediamine

Conditions

Conditions	Yield
With ammonia

: 111-40-0
1,5-diamino-3-azapentane

: 112-57-2
N-(2-aminoethyl)-N'-{2-[(2-aminoethyl)amino]ethyl}ethane-1,2-diamine

Conditions

Conditions	Yield
With ammonia; water; 1,2-dichloro-ethane unter Druck;

: 151-56-4
ethyleneimine

: 112-24-3
triethylentetramine

A: 112-57-2
N-(2-aminoethyl)-N'-{2-[(2-aminoethyl)amino]ethyl}ethane-1,2-diamine

B: 31295-46-2
tris(2-aminoethyl)-N,N,N'-ethyldiamine

Conditions

Conditions	Yield
With hydrogenchloride In water at 25℃; Kinetics; Thermodynamic data; acid-catalyzed ring opening reactions at various temperature, Ea, ΔH are given;
With hydrogenchloride In water at 55℃;	A 64.5 % Chromat. B 35.5 % Chromat.
With hydrogenchloride In water at 35℃;	A 61.4 % Chromat. B 38.6 % Chromat.

...Expand

: 23435-23-6
1-<2-<(2-aminoethyl)amino>ethyl>aziridine

: 107-15-3
ethylenediamine

: 112-57-2
N-(2-aminoethyl)-N'-{2-[(2-aminoethyl)amino]ethyl}ethane-1,2-diamine

Conditions

Conditions	Yield
With hydrogen cation In water at 40 - 60℃; Rate constant; Thermodynamic data; Ea, ΔH;
With hydrogen cation In water

: 46467-99-6
{COFeC8H23N5}(2+)

: 112-57-2
N-(2-aminoethyl)-N'-{2-[(2-aminoethyl)amino]ethyl}ethane-1,2-diamine

Conditions

Conditions	Yield
In water in acidic medium;
In water in acidic medium;

: 1051939-66-2
diethylenetriaminediacetonitrile

A: 24028-46-4
1-<2-(2-aminoethyl)aminoethyl>piperazine

B: 112-57-2
N-(2-aminoethyl)-N'-{2-[(2-aminoethyl)amino]ethyl}ethane-1,2-diamine

Conditions

Conditions	Yield
With hydrogen; Cr-doped Raney cobalt In tetrahydrofuran at 120℃; under 75007.5 Torr; for 3h; Product distribution / selectivity; Autoclave;

: 107-06-2
1,2-dichloro-ethane

A: 112-57-2
N-(2-aminoethyl)-N'-{2-[(2-aminoethyl)amino]ethyl}ethane-1,2-diamine

B: 107-15-3
ethylenediamine

C: 111-40-0
1,5-diamino-3-azapentane

D: 112-24-3
triethylentetramine

Conditions

Conditions	Yield
Stage #1: 1,2-dichloro-ethane With ammonia Stage #2: With sodium hydroxide Product distribution / selectivity;
With ammonium hydroxide at 140℃; under 105011 Torr;

...Expand

: 107-06-2
1,2-dichloro-ethane

A: 110-85-0
piperazine

B: 112-57-2
N-(2-aminoethyl)-N'-{2-[(2-aminoethyl)amino]ethyl}ethane-1,2-diamine

C: 107-15-3
ethylenediamine

D: 111-40-0
1,5-diamino-3-azapentane

E: 112-24-3
triethylentetramine

Conditions

Conditions	Yield
With ammonium hydroxide In water at 120℃; under 90009 Torr; Concentration;

...Expand

: 107-06-2
1,2-dichloro-ethane

A: 110-85-0
piperazine

B: 112-57-2
N-(2-aminoethyl)-N'-{2-[(2-aminoethyl)amino]ethyl}ethane-1,2-diamine

C: 111-40-0
1,5-diamino-3-azapentane

D: 112-24-3
triethylentetramine

Conditions

Conditions	Yield
With ammonium hydroxide; ethylenediamine In water at 100℃; under 18751.9 Torr;

...Expand

: 141-43-5
ethanolamine

A: 110-85-0
piperazine

B: 103-76-4
1-(2-hydroxyethyl)piperazine

C: 140-31-8
aminoethylpiperazine

D: 112-57-2
N-(2-aminoethyl)-N'-{2-[(2-aminoethyl)amino]ethyl}ethane-1,2-diamine

E: 107-15-3
ethylenediamine

F: 111-40-0
1,5-diamino-3-azapentane

G: 112-24-3
triethylentetramine

Conditions

Conditions	Yield
With ammonia; hydrogen In water at 92℃; under 26463 Torr; Temperature;

...Expand

Raw Materials

23435-23-6

112-24-3

107-15-3

151-56-4

107-06-2

111-40-0

Downstream Products

110-85-0

107-15-3

140-31-8

24028-46-4

102432-83-7

3216-98-6

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- China (Mainland)(18)
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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

DOT Classification: 8; Label: Corrosive

Specification

The Tetraethylenepentamine, with the CAS registry number 112-57-2,is also known as 1,11-Diamino-3,6,9-triazaundecane; 1,4,7,10,13-Pentaazatridecane; 3,6,9-Triaza-1,11-undecanediamine; 3,6,9-Triazaundecamethylenediamine. It belongs to the product categories of Chemical Synthesis;Nitrogen Compounds;Organic Building .Its EINECS number is 203-986-2. This chemical's molecular formula is C₈H₂₃N₅ and molecular weight is 189.30. What's more,Its systematic name is Tetraethylenepentamine.It is a colourless to green-yellow viscous liquid. Slightly less dense than water. Vapors heavier than air. Corrosive to the eyes, skin, mouth, throat and stomach. Vapors irritate the eyes and corrosive to the upper respiratory tract. Vapors may irritate the eyes.

Physical properties about Tetraethylenepentamine are:
(1)ACD/LogP: -2.241; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -7.36; (4)ACD/LogD (pH 7.4): -7.15; (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: 5; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 12; (12)Index of Refraction: 1.498; (13)Molar Refractivity: 56.967 cm³; (14)Molar Volume: 194.392 cm³; (15)Surface Tension: 41.1599998474121 dyne/cm; (16)Density: 0.974 g/cm³; (17)Flash Point: 185 °C; (18)Enthalpy of Vaporization: 58.516 kJ/mol; (19)Boiling Point: 341.499 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C;

You can still convert the following datas into molecular structure:
(1)SMILES:C(CNCCNCCNCCN)N;
(2)Std. InChI:InChI=1S/C8H23N5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-13H,1-10H2;
(3)Std. InChIKey:FAGUFWYHJQFNRV-UHFFFAOYSA-N.

Safety Information of Tetraethylenepentamine:
The Tetraethylenepentamine may cause nausea and slight irritation by inhale.The compound is a sensitizer, and prolonged contact may cause asthma. And it can cause burns of mouth, esophagus, and possibly stomach. Contact with eyes or skin may cause burns by assimilate. Repeated skin contact may cause dermatitis.So when you use it ,wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Or if you feel unwell, seek medical advice immediately (show the label whenever possible.).Avoid release to the environment. Refer to special instructions / safety data sheets.

The toxicity data of Tetraethylenepentamine as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intravenous	320mg/kg (320mg/kg)	U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03522,
rabbit	LD50	skin	660uL/kg (.66mL/kg)	Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949.
rat	LD50	intraperitoneal	205mg/kg (205mg/kg)	Inorganica Chimica Acta. Vol. 91, Pg. L51, 1984.
rat	LD50	oral	3990mg/kg (3990mg/kg)	Union Carbide Data Sheet. Vol. 3/20/1973,

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Consensus Reports

Standards and Recommendations

Specification