Benzenemethanamine,4-methyl-

The CAS registry number of 4-Methylbenzylamine is 104-84-7. Its EINECS registry number is 203-243-2. The IUPAC name is (4-methylphenyl)methanamine. In addition, the molecular formula is C₈H₁₁N and the molecular weight is 121.18. What's more, it is a kind of colorless to light yellow liquid and belongs to the classes of Anilines, Aromatic Amines and Nitro Compounds. Besides, it should be stored in sealed container, and put in a cool and dry place. The storage place must stay away from oxidant, the fire, water source and heat source.

Physical properties of 4-Methylbenzylamine are: (1)ACD/LogP: 1.892; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.11; (4)ACD/LogD (pH 7.4): 0.10; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 4.06; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.02 Å²; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 39.529 cm³; (15)Molar Volume: 125.697 cm³; (16)Polarizability: 15.671×10^-24cm³; (17)Surface Tension: 37.36 dyne/cm; (18)Density: 0.964 g/cm³; (19)Flash Point: 75 °C; (20)Enthalpy of Vaporization: 43.12 kJ/mol; (21)Boiling Point: 194.999 °C at 760 mmHg; (22)Vapour Pressure: 0.42 mmHg at 25°C.

Preparation of 4-Methylbenzylamine: it can be prepared by 4-methyl-benzonitrile at the ambient temperature. This reaction will need reagents Sm, 10percent HCl and solvent methanol with the reaction time of 5 min. The yield is about 92%.

Uses of 4-Methylbenzylamine: it can be used to produce N-(4-methylbenzyl)-2,2,2-trifluoroacetamide by heating. It will need solvent tetrahydrofuran with the reaction time of 12 hours. The yield is about 83%.

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

You can still convert the following datas into molecular structure:
(1)SMILES: NCc1ccc(cc1)C
(2)InChI: InChI=1/C8H11N/c1-7-2-4-8(6-9)5-3-7/h2-5H,6,9H2,1H3
(3)InChIKey: HMTSWYPNXFHGEP-UHFFFAOYAJ