107-11-9

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.