3-AMINO-O-TOLUIC ACID ETHYL ESTER

The Benzoic acid,3-amino-2-methyl-, ethyl ester, with CAS registry number 57414-85-4, has the systematic name of ethyl 3-amino-2-methylbenzoate. Besides this, it is also called 3-Amino-o-toluic acid ethyl ester. And the chemical formula of this chemical is C₁₀H₁₃NO₂.

Physical properties of Benzoic acid,3-amino-2-methyl-, ethyl ester: (1)ACD/LogP: 2.01; (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: 1.549; (8)Molar Refractivity: 51.71 cm³; (9)Molar Volume: 162.3 cm³; (10)Polarizability: 20.5×10^-24cm³; (11)Surface Tension: 42.8 dyne/cm; (12)Density: 1.103 g/cm³; (13)Flash Point: 154.7 °C; (14)Enthalpy of Vaporization: 53.9 kJ/mol; (15)Boiling Point: 299 °C at 760 mmHg; (16)Vapour Pressure: 0.00123 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzoic acid,3-amino-2-methyl-, ethyl ester irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1cccc(N)c1C
(2)InChI: InChI=1/C10H13NO2/c1-3-13-10(12)8-5-4-6-9(11)7(8)2/h4-6H,3,11H2,1-2H3
(3)InChIKey: RZDRJEHTKWQFQO-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C10H13NO2/c1-3-13-10(12)8-5-4-6-9(11)7(8)2/h4-6H,3,11H2,1-2H3
(5)Std. InChIKey: RZDRJEHTKWQFQO-UHFFFAOYSA-N