3,5-DI-TERT-BUTYLANILINE

The Benzenamine,3,5-bis(1,1-dimethylethyl)-, with the CAS registry number 2380-36-1, is also known as 3,5-Bis(tert-butyl)phenylamine. It belongs to the product categories of Anilines, Aromatic Amines and Nitro Compounds; Aromatic Hydrocarbons (substituted) & Derivatives; Highly Purified Reagents; Other Categories; Refined Products by Sublimation; Amines; C11 to C38; Nitrogen Compounds. Its EINECS registry number is 219-173-0. This chemical's molecular formula is C₁₄H₂₃N and molecular weight is 205.3391. Its systematic name is called 3,5-di-tert-butylaniline.

Physical properties of Benzenamine,3,5-bis(1,1-dimethylethyl)-: (1)ACD/LogP: 4.31; (2)ACD/LogD (pH 5.5): 4.24; (3)ACD/LogD (pH 7.4): 4.31; (4)ACD/BCF (pH 5.5): 934.69; (5)ACD/BCF (pH 7.4): 1113.64; (6)ACD/KOC (pH 5.5): 4426.71; (7)ACD/KOC (pH 7.4): 5274.23; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.509; (12)Molar Refractivity: 67.26 cm³; (13)Molar Volume: 225 cm³; (14)Surface Tension: 30.5 dyne/cm; (15)Density: 0.912 g/cm³; (16)Flash Point: 115.6 °C; (17)Enthalpy of Vaporization: 51.52 kJ/mol; (18)Boiling Point: 276.6 °C at 760 mmHg; (19)Vapour Pressure: 0.00475 mmHg at 25°C.

Preparation: this chemical can be prepared by 3,5-di-tert-butyl-benzoic acid. This reaction will need reagent H₂SO₄, CHCl₃ and NaN₃.

Uses of Benzenamine,3,5-bis(1,1-dimethylethyl)-: it can be used to produce (3,5-di-tert-butyl-phenyl)-trityl-amine. This reaction will need reagent Et₃N and solvent diethyl ether with reaction time of 24 hours. The yield is about 39%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cc(cc(c1)C(C)(C)C)C(C)(C)C
(2)InChI: InChI=1/C14H23N/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9H,15H2,1-6H3
(3)InChIKey: MJKNHXCPGXUEDO-UHFFFAOYAW