4-HEPTYLOXYANILINE

The 4-Heptyloxyaniline with the cas number 39905-44-7 is also called Benzenamine,4-(heptyloxy)-. The systematic name is 4-(heptyloxy)aniline. Its molecular formula is C₁₃H₂₁NO. The product's category is Alkylanilines. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 3.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.74; (4)ACD/LogD (pH 7.4): 3.93; (5)ACD/BCF (pH 5.5): 368.28; (6)ACD/BCF (pH 7.4): 569.64; (7)ACD/KOC (pH 5.5): 2107.52; (8)ACD/KOC (pH 7.4): 3259.84; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 64.96 cm³; (15)Molar Volume: 214.7 cm³; (16)Polarizability: 25.75×10^-24cm³; (17)Surface Tension: 36.6 dyne/cm; (18)Enthalpy of Vaporization: 56.81 kJ/mol; (19)Vapour Pressure: 0.000223 mmHg at 25°C.

Uses: This chemical can react with 4-ethoxy-2-hydroxy-benzaldehyde to product 5-ethoxy-2-[(4-heptyloxy-phenylimino)-methyl]-phenol. This reaction needs reagent ethanol at heating condition. The reaction time is 2.5 hours. The yield is 69%.

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. 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: O(c1ccc(cc1)N)CCCCCCC
(2)InChI: InChI=1/C13H21NO/c1-2-3-4-5-6-11-15-13-9-7-12(14)8-10-13/h7-10H,2-6,11,14H2,1H3
(3)InChIKey: LTGYTOOKQWFTQG-UHFFFAOYAK