N,N-Dimethylbenzylamine

Reported in EPA TSCA Inventory.

DOT Classification:  8; Label: Corrosive

The N,N-Dimethylbenzylamine with CAS registry number of 103-83-3 is also known as Benzyl-N,N-dimethylamine. The IUPAC name is N,N-Dimethyl-1-phenylmethanamine. It belongs to product categories of Anilines, Aromatic Amines and Nitro Compounds; Organics. Its EINECS registry number is 203-149-1. In addition, the formula is C₉H₁₃N and the molecular weight is 135.23. This chemical is a colourless to light yellow liquid with an amine odour that slightly soluble in water. It may destroy living tissue on contact and should be sealed in ventilated, cool room away from fire and heat. What's more, this chemical is used as organic synthesis intermediate and also used as dehydrogenation catalysts, preservatives, acid neutralizer and so on.

Physical properties about N,N-Dimethylbenzylamine are: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.91; (4)ACD/LogD (pH 7.4): 0.57; (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): 11.11; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.516; (12)Molar Refractivity: 44.15 cm³; (13)Molar Volume: 146 cm³; (14)Surface Tension: 32.7 dyne/cm; (15)Density: 0.926 g/cm³; (16)Flash Point: 54.4 °C; (17)Enthalpy of Vaporization: 41.73 kJ/mol; (18)Boiling Point: 181 °C at 760 mmHg; (19)Vapour Pressure: 0.871 mmHg at 25 °C.

Preparation of N,N-Dimethylbenzylamine: it is prepared by reaction of benzyl with dimethylamine. Firstly, dimethylamine is added into reactor and mixed with benzyl chloride under stirring at the temperature of 25 °C for 1 hour. Then the reaction mixture is heated to 55-60 °C for 6 hours. After reaction, liquid caustic soda is added and oil reservoir is washed with hot water. At last, product is obtained by collecting distillate at 67-72 °C (1.87 kPa).

Uses of N,N-Dimethylbenzylamine: it is used to produce 2-trimethylsilylbenzyldimethylamin by reaction with chloro-trimethyl-silane. The reaction occurs with reagent BuLi and solvent diethyl ether at the temperature of -20 °C for 12 hours. The yield is about 35%.

When you are using this chemical, please be cautious about it. As a chemical, it is not only harmful by inhalation, in contact with skin and if swallowed, but also harmful to aquatic organisms that may cause long-term adverse effects in the aquatic environment. This chemical is flammable and may cause burns. During using it, wear suitable protective clothing. Avoid release to the environment.. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CN(C)CC1=CC=CC=C1
2. InChI: InChI=1S/C9H13N/c1-10(2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
3. InChIKey: XXBDWLFCJWSEKW-UHFFFAOYSA-N

The toxicity data is as follows: