N,N-dibutylaniline (613-29-6)

The N,N-Dibutylaniline with the CAS number 613-29-6 is also called Benzenamine,N,N-dibutyl-. Its molecular formula is C₁₄H₂₃N. The EINECS registry number is 210-335-6. This chemical belongs to the following product categories: (1)D; (2)Stains and Dyes; (3)Stains&Dyes, A to. This chemical is clear yellow-brown to reddish-brown liquid.

The properties of the N,N-Dibutylaniline are: (1)ACD/LogP: 5.52; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.68; (4)ACD/LogD (pH 7.4): 5.48; (5)ACD/BCF (pH 5.5): 1335.07; (6)ACD/BCF (pH 7.4): 8517.74; (7)ACD/KOC (pH 5.5): 3476.58; (8)ACD/KOC (pH 7.4): 22180.59; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 68.36 cm³; (15)Molar Volume: 226.4 cm³; (16)Polarizability: 27.1×10^-24cm³; (17)Surface Tension: 34.2 dyne/cm; (18)Enthalpy of Vaporization: 51.32 kJ/mol; (19)Vapour Pressure: 0.00529 mmHg at 25°C.

Preparation: This chemical can be prepared by the reaction of 1-bromo-butane and N-butyl-aniline. This reaction needs heating. The reaction time is 30 hours.

Uses: This chemical can react with dichloro-cyclobutenedione to prepare 1-chloro-2-(p-dibutylaminophenyl)cyclobutene-3,4-dione. This reaction needs reagent Et₃N and solvent CH₂Cl₂ at temperature of 20 °C. The yield is 22%.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: N(c1ccccc1)(CCCC)CCCC
(2)InChI: InChI=1/C14H23N/c1-3-5-12-15(13-6-4-2)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3
(3)InChIKey: FZPXKEPZZOEPGX-UHFFFAOYAI