The N,N'-Di-tert-butylcarbodiimide, with the CAS registry number 691-24-7, is also known as 1,3-Di-tert-butyl carbodiimide. It belongs to the product categories of Carbodiimides; Carbodiimides Synthetic Reagents; Coupling; Peptide Synthesis. Its EINECS number is 211-719-6. This chemical's molecular formula is C₉H₁₈N₂ and formula weight is 154.25. What's more, its IUPAC name is N,N'-ditert-butylmethanediimine. It is stable at room temperature and pressure, and should be stored in dry and cool place, and protected from sunlight.

Physical properties of N,N'-Di-tert-butylcarbodiimide are: (1)ACD/LogP: 3.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.88; (4)ACD/BCF (pH 5.5): 520.2; (5)ACD/KOC (pH 5.5): 3060.82; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 24.72 Å²; (10)Index of Refraction: 1.434; (11)Molar Refractivity: 50.08 cm³; (12)Molar Volume: 192.2 cm³; (13)Surface Tension: 24.1 dyne/cm; (14)Density: 0.8 g/cm³; (15)Flash Point: 35 °C; (16)Enthalpy of Vaporization: 38.09 kJ/mol; (17)Boiling Point: 160.6 °C at 760 mmHg; (18)Vapour Pressure: 3.08 mmHg at 25°C.

Preparation: this chemical can be prepared by N,N'-di-tert-butyl-thiourea by heating. This reaction will need reagent 1,1'-thiocarbonyldi-2,2'-pyridone and solvent toluene with the reaction time of 1.5 hours. The yield is about 90%.

Uses of N,N'-Di-tert-butylcarbodiimide: it can be used to produce N-(tert-Butyl)-N-(2-chlor-3,4-dioxo-1-cyclobutenyl)cyanamid at the ambient temperature. It will need solvent CH₂Cl₂. The yield is about 81%.

When you are using this chemical, please be cautious about it as the following:
It is flammable and irritating to eyes, respiratory system and skin. In case of contact with eyes, you need rinse immediately with plenty of water and seek medical advice. When using it, you must wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)N=C=NC(C)(C)C
(2)InChI: InChI=1S/C9H18N2/c1-8(2,3)10-7-11-9(4,5)6/h1-6H3
(3)InChIKey: IDVWLLCLTVBSCS-UHFFFAOYSA-N