Benzoic acid,3,5-diamino-4-chloro-, 2-methylpropyl ester

The Benzoic acid,3,5-diamino-4-chloro-, 2-methylpropyl ester is an organic compound with the formula C₁₁H₁₅ClN₂O₂. The systematic name of this chemical is 2-methylpropyl 3,5-diamino-4-chlorobenzoate. With the CAS registry number 32961-44-7, it is also named as Isobutyl 4-chloro-3,5-diaminobenzoate. The product's categories are C10 to C11; Carbonyl Compounds; Esters. It is solid which should be sealed in the container and stored in the cool and dry place.

The other characteristics of Benzoic acid,3,5-diamino-4-chloro-, 2-methylpropyl ester can be summarized as: (1)ACD/LogP: 2.60 ; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.6; (4)ACD/LogD (pH 7.4): 2.6; (5)ACD/BCF (pH 5.5): 55.89; (6)ACD/BCF (pH 7.4): 55.9; (7)ACD/KOC (pH 5.5): 619.91; (8)ACD/KOC (pH 7.4): 620.02; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 32.78 Å²; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 65.25 cm³; (15)Molar Volume: 193.7 cm³; (16)Polarizability: 25.86×10^-24 cm³; (17)Surface Tension: 50.4 dyne/cm; (18)Density: 1.252 g/cm³; (19)Flash Point: 189.7 °C; (20)Enthalpy of Vaporization: 63.95 kJ/mol; (21)Boiling Point: 390.1 °C at 760 mmHg; (22)Vapour Pressure: 2.72E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful if swallowed, but also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure. 
1. SMILES:Clc1c(cc(C(=O)OCC(C)C)cc1N)N
2. InChI:InChI=1/C11H15ClN2O2/c1-6(2)5-16-11(15)7-3-8(13)10(12)9(14)4-7/h3-4,6H,5,13-14H2,1-2H3 
3. InChIKey:KHUIRIRTZCOEMK-UHFFFAOYAA
4. Std. InChI:InChI=1S/C11H15ClN2O2/c1-6(2)5-16-11(15)7-3-8(13)10(12)9(14)4-7/h3-4,6H,5,13-14H2,1-2H3 
5. Std. InChIKey:KHUIRIRTZCOEMK-UHFFFAOYSA-N