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CAS No.: | 107-11-9 |
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Name: | Allylamine |
Article Data: | 109 |
Molecular Structure: | |
Formula: | C3H7N |
Molecular Weight: | 57.0953 |
Synonyms: | Allylamine(6CI,8CI);1-Aminoprop-2-ene;2-Propenamine;2-Propenylamine;3-Amino-1-propene;3-Aminopropene;3-Aminopropylene;Monoallylamine;NSC 7600; |
EINECS: | 203-463-9 |
Density: | 0.763 g/cm3 |
Melting Point: | -88 °C |
Boiling Point: | 54.3 °C at 760 mmHg |
Flash Point: | -28 °C |
Solubility: | miscible with water |
Appearance: | colourless liquid |
Hazard Symbols: | F,T,N |
Risk Codes: | 11-23/24/25-51/53 |
Safety: | 9-16-24/25-45-61 |
Transport Information: | UN 2334 6.1/PG 1 |
PSA: | 26.02000 |
LogP: | 0.83140 |
The IUPAC name of Allylamine is prop-2-en-1-amine. With the CAS registry number 107-11-9, it is also named as Monoallylamine. The classification codes are Human Data; Mutation data; Skin / Eye Irritant. It is colourless liquid with a strong ammonia-like odor that is miscible with water, alcohol, chloroform and ether. In addition, this chemical is highly toxic and flammable by fire, heat and oxidants. It will produce toxic nitrogen oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry. Keep Allylamine separate from oxidizers and acids.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.02; (4)ACD/LogD (pH 7.4): -2.06; (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: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.414; (13)Molar Refractivity: 19.2 cm3; (14)Molar Volume: 76.8 cm3; (15)Polarizability: 7.61×10-24 cm3; (16)Surface Tension: 23.7 dyne/cm; (17)Enthalpy of Vaporization: 29.73 kJ/mol; (18)Vapour Pressure: 247 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 57.057849; (21)MonoIsotopic Mass: 57.057849; (22)Topological Polar Surface Area: 26; (23)Heavy Atom Count: 4; (24)Complexity: 17.2.
Preparation of Allylamine: It can be obtained by the treating allyl chloride with ammonia followed by distillation. Pure samples can be prepared by hydrolysis of allyl isothiocyanate.
Uses of Allylamine: It can be used in organic synthesis and manufacture of resins and diuretics. It is also used as intermediate of pharmaceutical, emulsion modifier, resin modifier and silicon product. For example: It react with furfural to get N-Allylfuran-2-carbaldehyde imine. This reaction needs reagent alumina. The reaction time is 12 hours. The yield is 100%.
When you are using this chemical, please be cautious about it as the following:
It is toxic by inhalation, in contact with skin and if swallowed, so people should avoid contact with skin and eyes. And it is also toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) Avoid release to the environment. Refer to special instructions / safety data sheets.
People can use the following data to convert to the molecule structure.
1. Smiles:C(CN)=C
2. InChI:InChI=1/C3H7N/c1-2-3-4/h2H,1,3-4H2
The following are the toxicity data which has been tested.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
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mammal (species unspecified) | LC50 | inhalation | 320mg/m3 (320mg/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 | oral | 78300ug/kg (78.3mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(4), Pg. 86, 1974. | |
mammal (species unspecified) | LD50 | unreported | 783mg/kg (783mg/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 | 2500ppb/5M (2.5ppm) | 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 | 49mg/kg (49mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA | Archives of Environmental Health. Vol. 1, Pg. 343, 1960. |
mouse | LD50 | oral | 57mg/kg (57mg/kg) | Archives of Environmental Health. Vol. 1, Pg. 343, 1960. | |
rabbit | LD50 | skin | 35mg/kg (35mg/kg) | SKIN AND APPENDAGES (SKIN): PRIMARY IRRITATION: AFTER TOPICAL EXPOSURE LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA | Archives of Environmental Health. Vol. 1, Pg. 343, 1960. |
rat | LC50 | inhalation | 177ppm/8H (177ppm) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION LUNGS, THORAX, OR RESPIRATION: DYSPNEA SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE | Archives of Environmental Health. Vol. 1, Pg. 343, 1960. |
rat | LD50 | oral | 102mg/kg (102mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 17, 1982. | |
rat | LDLo | intraperitoneal | 37500ug/kg (37.5mg/kg) | Farmakologiya i Toksikologiya Vol. 31, Pg. 238, 1968. |