N-METHYL-O-TOLUIDINE

The Benzenamine,N,2-dimethyl-, with CAS registry number 611-21-2, belongs to the following product categories: (1)Amines; (2)C8; (3)Nitrogen Compounds. It has the systematic name of N,2-dimethylaniline. This chemical is a kind of clear liquid, darkening on storage. What's more, its EINECS is 210-260-9.

Physical properties of Benzenamine,N,2-dimethyl-: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.99; (4)ACD/LogD (pH 7.4): 2.05; (5)ACD/BCF (pH 5.5): 18.4; (6)ACD/BCF (pH 7.4): 21.44; (7)ACD/KOC (pH 5.5): 267.89; (8)ACD/KOC (pH 7.4): 312.04; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 40.68 cm³; (15)Molar Volume: 125.1 cm³; (16)Polarizability: 16.12×10^-24cm³; (17)Surface Tension: 34.7 dyne/cm; (18)Density: 0.968 g/cm³; (19)Flash Point: 76.4 °C; (20)Enthalpy of Vaporization: 44.38 kJ/mol; (21)Boiling Point: 207.5 °C at 760 mmHg; (22)Vapour Pressure: 0.225 mmHg at 25°C.

Preparation: this chemical can be prepared by N-benzotriazol-1-ylmethyl-2-methyl-aniline. This reaction will need reagent NaBH4 and solvent tetrahydrofuran. The reaction time is 10 hour(s) with reaction temperature of 20 ℃. The yield is about 80%.

When you are using this chemical, please be cautious about it as the following:
The Benzenamine,N,2-dimethyl- is toxic by inhalation, in contact with skin and if swallowed. This chemical has danger of cumulative effects. And it is harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment, so avoid release it to the environment. Refer to special instructions / safety data sheets. When use it, wear suitable protective clothing, gloves and eye/face protection. After contact with skin, wash immediately with plenty of soap-suds. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: N(c1ccccc1C)C
(2)InChI: InChI=1/C8H11N/c1-7-5-3-4-6-8(7)9-2/h3-6,9H,1-2H3
(3)InChIKey: GUAWMXYQZKVRCW-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C8H11N/c1-7-5-3-4-6-8(7)9-2/h3-6,9H,1-2H3
(5)Std. InChIKey: GUAWMXYQZKVRCW-UHFFFAOYSA-N