N-(TERT-BUTOXYCARBONYL)-2-BROMOBENZYLAMINE

This chemical is called N-Boc-2-Bromobenzylamine, and its systematic name is tert-butyl (2-bromobenzyl)carbamate. With the molecular formula of C₁₂H₁₆BrNO₂, its molecular weight is 286.16. The CAS registry number of this chemical is 162356-90-3, and its product categories are API Intermediates.

Other characteristics of the N-Boc-2-Bromobenzylamine can be summarised as followings: (1)ACD/LogP: 3.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.66; (4)ACD/LogD (pH 7.4): 3.66; (5)ACD/BCF (pH 5.5): 358.5; (6)ACD/BCF (pH 7.4): 358.49; (7)ACD/KOC (pH 5.5): 2344.81; (8)ACD/KOC (pH 7.4): 2344.73; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 67.35 cm³; (15)Molar Volume: 216.8 cm³; (16)Polarizability: 26.7×10^-24cm³; (17)Surface Tension: 38.8 dyne/cm; (18)Density: 1.319 g/cm³; (19)Flash Point: 177.8 °C; (20)Enthalpy of Vaporization: 61.72 kJ/mol; (21)Boiling Point: 370.3 °C at 760 mmHg; (22)Vapour Pressure: 1.12E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is harmful if swallowed,so do not breathe dust. It is irritating to eyes, respiratory system and skin, you should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. This chemical is very toxic to aquatic organisms, and it may cause long-term adverse effects in the aquatic environment, so you should avoid releasing it to the environment. In addition, this material and its container must be disposed of as hazardous waste. 

You can still convert the following datas into molecular structure: 
1.SMILES: Brc1ccccc1CNC(=O)OC(C)(C)C 
2.InChI: InChI=1/C12H16BrNO2/c1-12(2,3)16-11(15)14-8-9-6-4-5-7-10(9)13/h4-7H,8H2,1-3H3,(H,14,15)
3.InChIKey: DFNZFCPEUDSNEO-UHFFFAOYAP
4.Std. InChI: InChI=1S/C12H16BrNO2/c1-12(2,3)16-11(15)14-8-9-6-4-5-7-10(9)13/h4-7H,8H2,1-3H3,(H,14,15)
5.Std. InChIKey: DFNZFCPEUDSNEO-UHFFFAOYSA-N