tert-Butyl 2-aminobenzoate

The systematic name of tert-Butyl 2-aminobenzoate is tert-butyl 2-aminobenzoate. With the CAS registry number 64113-91-3, it is also named as tert-Butyl anthranilate. The product is nigger-brown liquid, which should be stored in a closed, cool and dry place at 2-8 °C. In addition, its molecular formula is C₁₁H₁₅NO₂ and molecular weight is 193.24.

The other characteristics of tert-Butyl 2-aminobenzoate can be summarized as: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 29.54 Å²; (7)Index of Refraction: 1.538; (8)Molar Refractivity: 56.12 cm³; (9)Molar Volume: 179.1 cm³; (10)Polarizability: 22.25×10^-24cm³; (11)Surface Tension: 40.6 dyne/cm; (12)Density: 1.078 g/cm³; (13)Flash Point: 142.6 °C; (14)Enthalpy of Vaporization: 52.31 kJ/mol; (15)Boiling Point: 284.1 °C at 760 mmHg; (16)Vapour Pressure: 0.00303 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it irritates to eyes and skin. It also may cause sensitization by skin contact. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing and gloves.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OC(C)(C)C)c1ccccc1N
(2)InChI: InChI=1/C11H15NO2/c1-11(2,3)14-10(13)8-6-4-5-7-9(8)12/h4-7H,12H2,1-3H3
(3)InChIKey: HDXMPGOKFMBDHJ-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C11H15NO2/c1-11(2,3)14-10(13)8-6-4-5-7-9(8)12/h4-7H,12H2,1-3H3
(5)Std. InChIKey: HDXMPGOKFMBDHJ-UHFFFAOYSA-N