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tert-Butyl 2-aminobenzoate

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Name

tert-Butyl 2-aminobenzoate

EINECS 231-816-7
CAS No. 64113-91-3 Density 1.078 g/cm3
PSA 52.32000 LogP 2.80530
Solubility N/A Melting Point N/A
Formula C11H15NO2 Boiling Point 284.1 °C at 760 mmHg
Molecular Weight 193.246 Flash Point 142.6 °C
Transport Information N/A Appearance nigger-brown liquid
Safety 26-36-36/37 Risk Codes 36/38-43
Molecular Structure Molecular Structure of 64113-91-3 (tert-Butyl 2-aminobenzoate) Hazard Symbols IrritantXi
Synonyms

tert-Butyl2-aminobenzoate;tert-Butyl anthranilate;

Article Data 19

tert-Butyl 2-aminobenzoate Specification

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

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