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| CAS No.: | 111-74-0 |
|---|---|
| Name: | N,N'-Diethylethylenediamine |
| Article Data: | 20 |
| Molecular Structure: | |
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|
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| Formula: | C6H16N2 |
| Molecular Weight: | 116.206 |
| Synonyms: | 1,2-Ethanediamine,N,N'-diethyl- (9CI);Ethylenediamine, N,N'-diethyl- (6CI,7CI,8CI);N,N'-Diethyl-1,2-diaminoethane;N,N'-Diethyl-1,2-ethanediamine;N,N'-Diethyldiaminoethane;N,N'-Diethylethylenediamine; |
| EINECS: | 203-902-4 |
| Density: | 0.8 g/cm3 |
| Melting Point: | -7.15°C (estimate) |
| Boiling Point: | 144 ºC at 760 mmHg |
| Flash Point: | 33.3 °C |
| Solubility: | Miscible with water. |
| Appearance: | colorless to yellow liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 10-34 |
| Safety: | 16-26-27-36/37/39-45 |
| Transport Information: | UN 2685 |
| PSA: | 24.06000 |
| LogP: | 0.98720 |
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Specification
The IUPAC name of N,N'-Diethylethylenediamine is N,N'-Diethylethane-1,2-diamine. With the CAS registry number 111-74-0, it is also named as 1,2-Ethanediamine,N1,N2-diethyl-. The product's categories are polyamines, nitrogen compounds, organic building blocks. Beside, it is colorless to yellow liquid, which is incompatible with acids, acid chlorides, acid anhydrides and strong oxidizing agents. It also absorbs and reacts with carbon dioxide in the air. In addition, its molecular formula is C6H16N2 and molecular weight is 116.2.
The other characteristics of this product can be summarized as: (1)EINECS: 203-902-4; (2)ACD/LogP: 0.33; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -3.53; (5)ACD/LogD (pH 7.4): -2.74; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)H bond acceptors: 2; (11)H bond donors: 2; (12)Freely Rotating Bonds: 5; (13)Polar Surface Area: 6.48 Å2; (14)Index of Refraction: 1.423; (15)Molar Refractivity: 37.03 cm3; (16)Molar Volume: 145.2 cm3; (17)Polarizability: 14.68×10-24cm3; (18)Surface Tension: 25.6 dyne/cm; (19)Density: 0.8 g/cm3; (20)Flash Point: 33.3 °C; (21)Enthalpy of Vaporization: 38.11 kJ/mol; (22)Boiling Point: 144 °C at 760 mmHg; (23)Vapour Pressure: 5.2 mmHg at 25 °C.
Uses of N,N'-Diethylethylenediamine: it can react with 3-Bromo-dihydro-furan-2-one to get 1,4-Diethyl-3-(2-hydroxy-ethyl)-piperazin-2-one.
This reaction needs Et3N and Tetrahydrofuran by heating. The yield is 73 %.
When you are using this chemical, please be cautious about it as the following: N,N'-Diethylethylenediamine may cause burns. And it is flammable. Please wear suitable protective clothing, gloves and eye/face protection, and take off immediately all contaminated clothing. It also should be kept away from sources of ignition. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure.
(1)SMILES:N(CC)CCNCC
(2)InChI:InChI=1/C6H16N2/c1-3-7-5-6-8-4-2/h7-8H,3-6H2,1-2H3
(3)InChIKey:CJKRXEBLWJVYJD-UHFFFAOYAI
(4)Std. InChI:InChI=1S/C6H16N2/c1-3-7-5-6-8-4-2/h7-8H,3-6H2,1-2H3
(5)Std. InChIKey:CJKRXEBLWJVYJD-UHFFFAOYSA-N