TRIS(2-AMINOETHYL)AMINE

The Tris(2-aminoethyl)amine, with the CAS registry number 4097-89-6, is also known as 2,2',2''-Nitrilotris(ethylamine). Its EINECS registry number is 223-857-4. This chemical's molecular formula is C₆H₁₈N₄ and molecular weight is 146.23. Its IUPAC name is called N',N'-bis(2-aminoethyl)ethane-1,2-diamine. The product should be sealed and stored in dry and well-ventilated place. It is stable at common pressure and temperature.

Physical properties of Tris(2-aminoethyl)amine: (1)ACD/LogP: -2.69; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -7.78; (4)ACD/LogD (pH 7.4): -7.42; (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: 4; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 9; (12)Index of Refraction: 1.517; (13)Molar Refractivity: 44.17 cm³; (14)Molar Volume: 145.8 cm³; (15)Surface Tension: 47.8 dyne/cm; (16)Density: 1.002 g/cm³; (17)Flash Point: 94.5 °C; (18)Enthalpy of Vaporization: 47.09 kJ/mol; (19)Boiling Point: 234.1 °C at 760 mmHg; (20)Vapour Pressure: 0.0537 mmHg at 25°C.

Uses of Tris(2-aminoethyl)amine: it can be used to produce tris-[2-(toluene-4-sulfonylamino)-ethyl]-amine with toluene-4-sulfonyl chloride. This reaction will need reagent Et₃N.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. 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(CN(CCN)CCN)N
(2)InChI: InChI=1S/C6H18N4/c7-1-4-10(5-2-8)6-3-9/h1-9H2
(3)InChIKey: MBYLVOKEDDQJDY-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	1800mg/kg (1800mg/kg)	BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	"Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 223, 1999.
rabbit	LD50	skin	117mg/kg (117mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	National Technical Information Service. Vol. OTS0537147,
rat	LD50	oral	246mg/kg (246mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	National Technical Information Service. Vol. OTS0537148,