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Allylamine

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Name

Allylamine

EINECS 203-463-9
CAS No. 107-11-9 Density 0.763 g/cm3
PSA 26.02000 LogP 0.83140
Solubility miscible with water Melting Point -88 °C
Formula C3H7N Boiling Point 54.3 °C at 760 mmHg
Molecular Weight 57.0953 Flash Point -28 °C
Transport Information UN 2334 6.1/PG 1 Appearance colourless liquid
Safety 9-16-24/25-45-61 Risk Codes 11-23/24/25-51/53
Molecular Structure Molecular Structure of 107-11-9 (Allylamine) Hazard Symbols FlammableF,ToxicT,DangerousN
Synonyms

Allylamine(6CI,8CI);1-Aminoprop-2-ene;2-Propenamine;2-Propenylamine;3-Amino-1-propene;3-Aminopropene;3-Aminopropylene;Monoallylamine;NSC 7600;

Article Data 109

Allylamine Consensus Reports

EPA Extremely Hazardous Substances List. Reported in EPA TSCA Inventory.

Allylamine Standards and Recommendations

DOT Classification:  6.1; Label: Poison, Flammable Liquid

Allylamine Specification

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
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.