2-Aminobenzylamine

The 2-Aminobenzylamine, with the CAS registry number of 4403-69-4, is also known as benzenemethanamine, 2-amino-. It belongs to the product categories of Anilines, Aromatic Amines and Nitro Compounds; Nitrogen Compounds; Organic Building Blocks; Polyamines. This chemical's molecular formula is C₇H₁₀N₂ and molecular weight is 122.17. What's more, its IUPAC name is 2-(Aminomethyl)aniline.

Physical properties about the 2-Aminobenzylamine are: (1)ACD/LogP: -0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.26; (4)ACD/LogD (pH 7.4): -2.44; (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): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 38.94 cm³; (15)Molar Volume: 111.7 cm³; (16)Surface Tension: 51.3 dyne/cm; (17)Density: 1.093 g/cm³; (18)Flash Point: 132.3 °C; (19)Enthalpy of Vaporization: 50.71 kJ/mol; (20)Boiling Point: 269 °C at 760 mmHg; (21)Vapour Pressure: 0.00744 mmHg at 25 °C.

Preparation: this chemical is prepared by 2-Amino-benzonitrile. The reaction needs reagent LiAlH₄ and solvent Dioxane. The reaction time is 2 h. The yield is about 74 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 2-(3-Nitro-phenyl)-1,2,3,4-tetrahydro-quinazoline. The reaction time is 15 min with reaction temperature of 130 °C. The yield is about 79 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is harmful if swallowed. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, 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) SMILES: NCc1ccccc1N
(2) InChI: InChI=1/C7H10N2/c8-5-6-3-1-2-4-7(6)9/h1-4H,5,8-9H2
(3) InChIKey: GVOYKJPMUUJXBS-UHFFFAOYAD