4-Aminobenzylamine

The 4-Aminobenzylamine with CAS registry number of 4403-71-8 is also known as Benzenemethanamine,4-amino-. The IUPAC name is 4-(Aminomethyl)aniline. It belongs to product categories of Anilines, Aromatic Amines and Nitro Compounds; Amine; Amines; Nitrogen Compounds; Organic Building Blocks; Polyamines. In addition, the formula is C₇H₁₀N₂ and the molecular weight is 122.17. This chemical is a white to light yellow crystal powder and should be sealed in ventilated and dry place at room temperature without light.

Physical properties about 4-Aminobenzylamine are: (1)ACD/LogP: -0.19; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 2; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 3; (9)Index of Refraction: 1.614; (10)Molar Refractivity: 38.94 cm³; (11)Molar Volume: 111.7 cm³; (12)Surface Tension: 51.3 dyne/cm; (13)Density: 1.093 g/cm³; (14)Flash Point: 132 °C; (15)Enthalpy of Vaporization: 59.35 kJ/mol; (16)Boiling Point: 349 °C at 760 mmHg; (17)Vapour Pressure: 4.84E-05 mmHg at 25 °C.

Preparation of 4-Aminobenzylamine: it is prepared by reaction of N-(4-amino-benzyl)-acetamide. The reaction needs reagent 15percent aq. NaOH with other condition of heating for 2.5 hours. The yield is about 86%.

Uses of 4-Aminobenzylamine: it is used to produce N-(4'-aminobenzyl)benzamide by reaction with 3-benzoyl-oxazolidin-2-one. The reaction occurs with catalyst Cp₂TiCl₂ and solvent tetrahydrofuran with ambient temperature for 18 hours. The yield is about 95%.

When you are using this chemical, please be cautious about it. This chemical may cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. After contact with skin, wash immediately. 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. SMILES: NCc1ccc(N)cc1
2. InChI: InChI=1/C7H10N2/c8-5-6-1-3-7(9)4-2-6/h1-4H,5,8-9H2
3. InChIKey: BFWYZZPDZZGSLJ-UHFFFAOYAH
4. Std. InChI: InChI=1S/C7H10N2/c8-5-6-1-3-7(9)4-2-6/h1-4H,5,8-9H2
5. Std. InChIKey: BFWYZZPDZZGSLJ-UHFFFAOYSA-N