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1,2-Ethanediamine,N1,N2-bis(2-aminoethyl)-, hydrochloride (1:2)

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1,2-Ethanediamine,N1,N2-bis(2-aminoethyl)-, hydrochloride (1:2)

EINECS 253-854-3
CAS No. 38260-01-4 Density 0.958 g/cm3
PSA 76.10000 LogP 1.86940
Solubility N/A Melting Point 120-125 °C (dec.)
Formula C6H20Cl2N4 Boiling Point 266.5 °C at 760 mmHg
Molecular Weight 219.158 Flash Point 143.3 °C
Transport Information N/A Appearance white crystalline powder
Safety 26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 38260-01-4 (TRIETHYLENETETRAMINE DIHYDROCHLORIDE) Hazard Symbols IrritantXi
Synonyms

N,N'-bis(2-aminoethyl)ethane-1,2-diamine dihydrochloride;1,2-ethanediamine, N1,N2-bis(2-aminoethyl)-, hydrochloride (1:2);N,N'-Bis(2-aminoethyl)-1,2-ethanediamine dihydrochloride;n,n'-bis(2-aminoethyl)ethan-1,2-diamindihydrochlorid;1,2-Ethanediamine, N,N'-bis(2-aminoethyl)-, dihydrochloride;

Article Data 6

1,2-Ethanediamine,N1,N2-bis(2-aminoethyl)-, hydrochloride (1:2) Specification

The 1,2-Ethanediamine,N1,N2-bis(2-aminoethyl)-, hydrochloride (1:2), with the CAS registry number 38260-01-4, is also known as N,N'-Bis(2-aminoethyl)-1,2-ethanediamine dihydrochloride.Its EINECS number is 253-854-3. This chemical's molecular formula is C6H20Cl2N4 and molecular weight is 219.16. What's more, its systematic name is N,N'-bis(2-aminoethyl)ethane-1,2-diamine dihydrochloride. Its classification codes are: (1)Chelating agent; (2)Reproductive Effect. It should be sealed and stored in cool and dry places at the temperature 0-6 °C.

Physical properties of 1,2-Ethanediamine,N1,N2-bis(2-aminoethyl)-, hydrochloride (1:2) are: (1)ACD/LogP: -2.18; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -7; (4)ACD/LogD (pH 7.4): -6.24; (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)Polar Surface Area: 12.96 Å2; (13)Flash Point: 143.3 °C; (14)Enthalpy of Vaporization: 50.45 kJ/mol; (15)Boiling Point: 266.5 °C at 760 mmHg; (16)Vapour Pressure: 0.00861 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
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.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Cl.Cl.NCCNCCNCCN
(2)InChI: InChI=1/C6H18N4.2ClH/c7-1-3-9-5-6-10-4-2-8;;/h9-10H,1-8H2;2*1H
(3)InChIKey: WYHIICXRPHEJKI-UHFFFAOYAV

The toxicity data is as follows:

 

Organism

Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 2285mg/kg (2285mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH
Toxicology Letters. Vol. (Suppl), Pg. 246, 1992.

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