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Basic Information
CAS No.: 4097-89-6
Name: TRIS(2-AMINOETHYL)AMINE
Molecular Structure:
Molecular Structure of 4097-89-6 (TRIS(2-AMINOETHYL)AMINE)
Formula: C6H18N4
Molecular Weight: 146.236
Synonyms: Diethylenetriamine, 4-(2-aminoethyl)-(6CI,7CI,8CI);2,2',2''-Nitrilotris[ethylamine];2,2',2''-Triaminotris(ethylamine);4-(2-Aminoethyl)diethylenetriamine;4-(3-Azapropyl)-1,4,7-triazaheptane;Ethanamine, 2,2',2''-nitrilotris-;N,N-Bis(2-aminoethyl)ethylenediamine;Nitrilotris(ethylamine);Tris(aminoethyl)amine;
EINECS: 223-857-4
Density: 1.003 g/cm3
Melting Point: -16 °C
Boiling Point: 234.1 °C at 760 mmHg
Flash Point: 94.5 °C
Solubility: Miscible with water.
Appearance: Colorless liquid
Hazard Symbols: ToxicT,IrritantXi
Risk Codes: 22-24-34-36/37/38-10
Safety: 26-36/37/39-45-16
Transport Information: UN 2922 8/PG 2
PSA: 81.30000
LogP: 0.26540
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Specification

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.

Tris(2-aminoethyl)amine can be used to produce tris-[2-(toluene-4-sulfonylamino)-ethyl]-amine with toluene-4-sulfonyl chloride

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,

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