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| CAS No.: | 108-00-9 |
|---|---|
| Name: | N,N-Dimethylethylenediamine |
| Article Data: | 53 |
| Molecular Structure: | |
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| Formula: | C4H12N2 |
| Molecular Weight: | 88.1527 |
| Synonyms: | 1,2-Ethanediamine,N,N-dimethyl- (9CI);Ethylenediamine, N,N-dimethyl- (6CI,7CI,8CI);(2-Aminoethyl)dimethylamine;1-Amino-2-(dimethylamino)ethane;2-(Dimethylamino)ethanamine;2-(Dimethylamino)ethylamine;2-(N,N-Dimethylamino)ethanamine;2-(N,N-Dimethylamino)ethylamine;N,N-Dimethyl-1,2-diaminoethane;N,N-Dimethyl-1,2-ethanediamine;N,N-Dimethyl-1,2-ethylenediamine;N,N-Dimethylethanediamine;N,N-Dimethylethylenediamine;N,N-Methyl-1,2-ethanediamine;N-(2-Aminoethyl)-N,N-dimethylamine;N-(2-Dimethylaminoethyl)amine;N.N-Dimethylethane-1,2-diamine;NSC 24506;unsym-Dimethylethylenediamine;β-(Dimethylamino)ethylamine; |
| EINECS: | 203-541-2 |
| Density: | 0.835 g/cm3 |
| Melting Point: | -70 °C |
| Boiling Point: | 93.5 °C at 760 mmHg |
| Flash Point: | 23.9 °C |
| Solubility: | miscible in water |
| Appearance: | colorless liquid |
| Hazard Symbols: |
 F, C
|
| Risk Codes: | 11-21/22-35 |
| Safety: | 16-23-26-28A-36-45 |
| Transport Information: | UN 3302 6.1/PG 2 |
| PSA: | 29.26000 |
| LogP: | 0.20700 |
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Specification
The 2-Dimethylaminoethylamine, with the CAS registry number 108-00-9 and EINECS registry number 203-541-2, has the systematic name of N,N-dimethylethane-1,2-diamine. And the molecular formula of this chemical is C4H12N2. It is a kind of clear colorless to pale yellow liquid, and sensitive to hygroscopic. What's more, it is used in the synthesis of cefotiam intermediate 1-dimethyl aminoethyl-5-mercapto tetrazole.
The physical properties of 2-Dimethylaminoethylamine are as following: (1)ACD/LogP: -0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.64; (4)ACD/LogD (pH 7.4): -3.06; (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: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.44; (14)Molar Refractivity: 27.83 cm3; (15)Molar Volume: 105.4 cm3; (16)Polarizability: 11.03×10-24cm3; (17)Surface Tension: 29.5 dyne/cm; (18)Density: 0.835 g/cm3; (19)Flash Point: 23.9 °C; (20)Enthalpy of Vaporization: 33.33 kJ/mol; (21)Boiling Point: 93.5 °C at 760 mmHg; (22)Vapour Pressure: 49.3 mmHg at 25°C.
Uses of 2-Dimethylaminoethylamine: It can react with 1,5-dichloro-4,8-dinitro-anthraquinone to produce 1,5-bis[[2-(dimethylamino)ethyl]amino]-4,8-dichloro-9,10-anthracenedione. This reaction will need solvent dioxane. The reaction time is 2 hours with temperature of 50-60°C, and the yield is about 36%.
![2-Dimethylaminoethylamine can react with 1,5-dichloro-4,8-dinitro-anthraquinone to produce 1,5-bis[[2-(dimethylamino)ethyl]amino]-4,8-dichloro-9,10-anthracenedione](/UserFilesUpload/Uses of 2-Dimethylaminoethylamine.jpg)
You should be cautious while dealing with this chemical. It is a kind of highly flammable chemical, and harmful in contact with skin and if swallowed. It may also cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Keep away from sources of ignition - No smoking; Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer); After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer); In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: NCCN(C)C
(2)InChI: InChI=1/C4H12N2/c1-6(2)4-3-5/h3-5H2,1-2H3
(3)InChIKey: DILRJUIACXKSQE-UHFFFAOYAU
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 800mg/kg (800mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | "Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 83, 1999. |
| mouse | LD50 | oral | 1200mg/kg (1200mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | "Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 83, 1999. |
| mouse | LD50 | subcutaneous | 930mg/kg (930mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | "Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 83, 1999. |
| rat | LCLo | inhalation | 2560mg/m3 (2560mg/m3) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BLOOD: "CHANGES IN SERUM COMPOSITION (E.G., TP, BILIRUBIN, CHOLESTEROL)" | "Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 83, 1999. |
| rat | LD50 | oral | 1135mg/kg (1135mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | "Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 83, 1999. |