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| CAS No.: | 124-02-7 |
|---|---|
| Name: | N,N-Diallylamine |
| Article Data: | 31 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H11N |
| Molecular Weight: | 97.16 |
| Synonyms: | 2-propen-1-amine, N-2-propen-1-yl-;N-(prop-2-en-1-yl)prop-2-en-1-amine;N-Allyl-2-propen-1-amine;N-Allylprop-2-en-1-amine;Diallylamine; |
| EINECS: | 204-671-2 |
| Density: | 0.767 g/cm3 |
| Melting Point: | -88 °C |
| Boiling Point: | 115.3 °C at 760 mmHg |
| Flash Point: | 15.6 °C |
| Solubility: | 8.6 g/100mL |
| Appearance: | clear colourless to yellow liquid |
| Hazard Symbols: |
 T, F
|
| Risk Codes: | 11-20/22-24-34 |
| Safety: | 16-26-36/37/39-45-28 |
| Transport Information: | UN 2359 3/PG 2 |
| PSA: | 12.03000 |
| LogP: | 1.33890 |
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A
- 34911-33-6
5,7-Dimethoxy-2-phenylbenzofuran
B
- 124-02-7
diallylamine
| Conditions | Yield |
|---|---|
| In benzene Irradiation; | A 96% B 56% |
- 124-02-7
diallylamine
| Conditions | Yield |
|---|---|
| With samarium diiodide In tetrahydrofuran for 4h; Ambient temperature; | 90% |
| Conditions | Yield |
|---|---|
| With ammonium hexafluorophosphate; [Pt(η3-C3H5)(DPP-Xantphos)]PF6 In toluene; acetonitrile at 30℃; for 44h; Inert atmosphere; | A 85% B 4% |
| Conditions | Yield |
|---|---|
| With ammonium hexafluorophosphate; [Pt(η3-C3H5)(DPP-Xantphos)]PF6 In toluene; acetonitrile at 50℃; for 8h; Inert atmosphere; | A 81% B 7% |
| Conditions | Yield |
|---|---|
| With ammonium hexafluorophosphate; [Pt(η3-C3H5)(DPP-Xantphos)]PF6 In toluene; acetonitrile at 30℃; for 20h; Inert atmosphere; | A 80% B 7% |
| Conditions | Yield |
|---|---|
| Stage #1: N,N-diallyl-2-phenyl-2-propen-1-amine; tert.-butyl lithium In tetrahydrofuran at -78 - 0℃; Stage #2: With water In tetrahydrofuran | A n/a B 79% |
- 124-02-7
diallylamine
| Conditions | Yield |
|---|---|
| Stage #1: N,N-diallyltritylamine With naphthalene; lithium In tetrahydrofuran at 0℃; for 6h; Stage #2: With water In tetrahydrofuran at 0 - 20℃; | 62% |
| Conditions | Yield |
|---|---|
| With sulfuric acid | |
| With sulfuric acid In water at 30℃; |
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Standards and Recommendations
Specification
1. Introduction of Diallylamine
Diallylamine has the IUPAC name of N-prop-2-enylprop-2-en-1-amine. It is a kind of clear colourless to yellow liquid and belongs to the classes of Pharmaceutical Intermediates; Acyclic; Alkenes; Organic Building Blocks. And it should be stored in a cool, ventilated and dry place.
2. Properties of Diallylamine
Physical properties of Diallylamine are: (1)ACD/LogP: 1.11 ; (2)#H bond acceptors: 1; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 12.03 Å2; (6)Index of Refraction: 1.432; (7)Molar Refractivity: 32.89 cm3; (8)Molar Volume: 126.5 cm3; (9)Polarizability: 13.03 ×10-24cm3; (10)Surface Tension: 22.8 dyne/cm; (11)Density: 0.767 g/cm3; (12)Flash Point: 15.6 °C; (13)Enthalpy of Vaporization: 35.37 kJ/mol; (14)Boiling Point: 115.3 °C at 760 mmHg; (15)Vapour Pressure: 19.2 mmHg at 25°C.
3. Structure Descriptors of Diallylamine
You could convert the following datas into the molecular structure:
(1)SMILES: C=CCNCC=C
(2)InChI: InChI=1/C6H11N/c1-3-5-7-6-4-2/h3-4,7H,1-2,5-6H2
(3)InChIKey: DYUWTXWIYMHBQS-UHFFFAOYAO
4. Toxicity of Diallylamine
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mammal (species unspecified) | LC50 | inhalation | 2100mg/m3 (2100mg/m3) | Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 14, Pg. 80, 1975. | |
| mammal (species unspecified) | LD50 | unreported | 350mg/kg (350mg/kg) | Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 14, Pg. 80, 1975. | |
| man | TCLo | inhalation | 5ppm/5M (5ppm) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI | Archives of Environmental Health. Vol. 1, Pg. 343, 1960. |
| mouse | LD50 | intraperitoneal | 187mg/kg (187mg/kg) | BEHAVIORAL: TREMOR GASTROINTESTINAL: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Archives of Environmental Health. Vol. 1, Pg. 343, 1960. |
| mouse | LD50 | oral | 355mg/kg (355mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 43, 1982. | |
| rabbit | LD50 | skin | 280uL/kg (0.28mL/kg) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. | |
| rat | LC50 | inhalation | 795ppm/8H (795ppm) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Archives of Environmental Health. Vol. 1, Pg. 343, 1960. |
| rat | LD50 | oral | 578mg/kg (578mg/kg) | BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: OTHER CHANGES | Archives of Environmental Health. Vol. 1, Pg. 343, 1960. |
5. Preparation of Diallylamine
Preparation of Diallylamine: it can be prepared by diallylcyanoamine through hydrolysis in the presence of sulfuric acid. This reaction should reflux for 6 hours, and the yield is about 80-88%. In addition, it also can be prepared by diallyl-carbamic acid 1-(3,5-dimethoxy-phenyl)-2-oxo-2-phenyl-ethyl ester. The other product is 5,7-dimethoxy-2-phenyl-benzofuran. This reaction will need reagent benzene with irradiation. The yield is about 56%. The equation as follows:
6. Uses of Diallylamine
Uses of Diallylamine: this chemical can be used as intermediates in organic synthesis. And it can react with acryloyl chloride to get diallylacrylamide. This reaction will need reagent Et3N and solvent benzene. The reaction time is 30 minutes at reaction temperature of 0 °C. And the yield is about 99%.
7. Safety information of Diallylamine
Hazard Codes: F,T
Risk Statements: 11-20/22-24-34
Safety Statements: 16-26-36/37/39-45-28A
RIDADR UN: 2359 3/PG 2
WGK Germany: 3
RTECS: UC6650000
F: 2-10
HazardClass: 3
PackingGroup: II
Hazardous Substances Data: 124-02-7(Hazardous Substances Data)
When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable and can cause burns. In addition, it is toxic in contact with skin and harmful by inhalation and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. 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 label where possible). What's more, you should keep away from sources of ignition.