3-Methylbenzylamine

The 3-Methylbenzylamine, with the CAS registry number 100-81-2, is also known as 1-(3-Methylphenyl)methanamine. It belongs to the product categories of Amines; C₈; Nitrogen Compounds. Its EINECS number is 202-890-8. This chemical's molecular formula is C₈H₁₁N and molecular weight is 121.18. What's more, its IUPAC name is (3-methylphenyl)methanamine. It should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from oxides, air, acids, heat and fire. The storage areas shall be equipped with emergency treatment equipments and appropriate asylum materials.

Physical properties of 3-Methylbenzylamine are: (1)ACD/LogP: 1.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.49; (4)ACD/LogD (pH 7.4): -0.47; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1.59; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 3.24 Å²; (12)Index of Refraction: 1.541; (13)Molar Refractivity: 39.52 cm³; (14)Molar Volume: 125.6 cm³; (15)Surface Tension: 37.3 dyne/cm; (16)Density: 0.964 g/cm³; (17)Flash Point: 80.6 °C; (18)Enthalpy of Vaporization: 43.64 kJ/mol; (19)Boiling Point: 200.2 °C at 760 mmHg; (20)Vapour Pressure: 0.329 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-methyl-benzonitrile at the temperature of 65 °C. This reaction will need reagent LiBH₃NMe₂ and solvent tetrahydrofuran with the reaction time of 12 hours. The yield is about 77%.

Uses of 3-Methylbenzylamine: it can be used to produce 3-methyl-benzaldehyde-oxime at the temperature of 20 °C. It will need reagent hydrogen peroxide and solvent 2-methyl-propan-2-ol with the reaction time of 30 min. This reaction will also need catalyst methyltrioxorhenium. The yield is about 82%.

When you are using this chemical, please be cautious about it as the following:
It can cause burns. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. You must take off immediately all contaminated clothing. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=CC=C1)CN
(2)InChI: InChI=1S/C8H11N/c1-7-3-2-4-8(5-7)6-9/h2-5H,6,9H2,1H3
(3)InChIKey: RGXUCUWVGKLACF-UHFFFAOYSA-N