Ethanol,2-(butylphenylamino)- (3046-94-4)

The N-Butyl-N-2-hydroxyethylaniline, with CAS registry number 3046-94-4, has the systematic name of 2-[(2-butylphenyl)amino]ethanol. And its IUPAC name is 2-(N-butylanilino)ethanol. And the chemical formula of this chemical is C₁₂H₁₉NO. What's more, its EINECS is 221-253-5.

Physical properties of N-Butyl-N-2-hydroxyethylaniline: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.71; (4)ACD/LogD (pH 7.4): 2.87; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 7; (8)Polar Surface Area: 32.26 Å²; (9)Index of Refraction: 1.557; (10)Molar Refractivity: 60.84 cm³; (11)Molar Volume: 188.7 cm³; (12)Polarizability: 24.12×10^-24cm³; (13)Surface Tension: 41.4 dyne/cm; (14)Enthalpy of Vaporization: 61.75 kJ/mol; (15)Vapour Pressure: 3.1E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-anilino-ethanol and 1-bromo-butane. This reaction will need reagent KI and solvent ethanol. The reaction time is 35 hour(s). The yield is about 53%.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCc1ccccc1NCCO
(2)InChI: InChI=1/C12H19NO/c1-2-3-6-11-7-4-5-8-12(11)13-9-10-14/h4-5,7-8,13-14H,2-3,6,9-10H2,1H3
(3)InChIKey: SYHWTJYAXFSDBV-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C12H19NO/c1-2-3-6-11-7-4-5-8-12(11)13-9-10-14/h4-5,7-8,13-14H,2-3,6,9-10H2,1H3
(5)Std. InChIKey: SYHWTJYAXFSDBV-UHFFFAOYSA-N