1-Tert-Butyl-3 ethylcarbodimide (1433-27-8)

The systematic name of this chemical is N-tert-butyl-N'-ethylcarbodiimide. With the CAS registry number 1433-27-8, it is also named as 2-Propanamine, N-(ethylcarbonimidoyl)-2-methyl-. The product's categories are Carbodiimides; Carbodiimides Synthetic Reagents; Coupling; Peptide Synthesis. In addition, 1-tert-Butyl-3-ethylcarbodiimide is stable under normal temperature and pressure. It should be stored in the ventilate place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.18; (4)ACD/LogD (pH 7.4): 3.18; (5)ACD/BCF (pH 5.5): 153.65; (6)ACD/BCF (pH 7.4): 153.65; (7)ACD/KOC (pH 5.5): 1278.57; (8)ACD/KOC (pH 7.4): 1278.57; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 24.72 Å²; (13)Index of Refraction: 1.434; (14)Molar Refractivity: 40.7 cm³; (15)Molar Volume: 156.2 cm³; (16)Polarizability: 16.13×10^-24 cm³; (17)Surface Tension: 24.8 dyne/cm; (18)Density: 0.8 g/cm³; (19)Flash Point: 33.5 °C; (20)Enthalpy of Vaporization: 36.77 kJ/mol; (21)Boiling Point: 146.5 °C at 760 mmHg; (22)Vapour Pressure: 5.84 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is flammable, so it should be kept away from sources of ignition. And it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1. SMILES:N(=C=N/C(C)(C)C)\CC
2. InChI:InChI=1/C7H14N2/c1-5-8-6-9-7(2,3)4/h5H2,1-4H3
3. InChIKey:AXTNYCDVWRSOCU-UHFFFAOYAP
4. Std. InChI:InChI=1S/C7H14N2/c1-5-8-6-9-7(2,3)4/h5H2,1-4H3 
5. Std. InChIKey:AXTNYCDVWRSOCU-UHFFFAOYSA-N