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2-Dimethylaminoethylamine

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Name

2-Dimethylaminoethylamine

EINECS 203-541-2
CAS No. 108-00-9 Density 0.835 g/cm3
PSA 29.26000 LogP 0.20700
Solubility miscible in water Melting Point -70 °C
Formula C4H12N2 Boiling Point 93.5 °C at 760 mmHg
Molecular Weight 88.1527 Flash Point 23.9 °C
Transport Information UN 3302 6.1/PG 2 Appearance colorless liquid
Safety 16-23-26-28A-36-45 Risk Codes 11-21/22-35
Molecular Structure Molecular Structure of 108-00-9 (N,N-Dimethylethylenediamine) Hazard Symbols FlammableF,CorrosiveC
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;

Article Data 53

2-Dimethylaminoethylamine 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

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.

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