4-PENTYLANILINE

The Benzenamine, 4-pentyl-, with the CAS registry number 33228-44-3, is also known as 4-Pentylbenzenamine. It belongs to the product categories of Alkyl; Alkylanilines; Anilines (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Functional Materials; Amines; C₁₁ to C₃₈; Nitrogen Compounds. Its EINECS number is 251-409-8. This chemical's molecular formula is C₁₁H₁₇N and molecular weight is 163.26. What's more, its systematic name is 4-pentylaniline. It must be sealed and stored in a cool and dry place. What's more, it should be protected from strong oxidants. It should be ensured that the workshop is well ventilated or equipped with exhaust devices.

Physical properties of Benzenamine, 4-pentyl- are: (1)ACD/LogP: 3.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.38; (4)ACD/LogD (pH 7.4): 3.52; (5)ACD/BCF (pH 5.5): 200.81; (6)ACD/BCF (pH 7.4): 278.21; (7)ACD/KOC (pH 5.5): 1409.59; (8)ACD/KOC (pH 7.4): 1952.9; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 53.93 cm³; (15)Molar Volume: 174 cm³; (16)Polarizability: 21.38×10^-24cm³; (17)Surface Tension: 36.9 dyne/cm; (18)Density: 0.937 g/cm³; (19)Flash Point: 113.5 °C; (20)Enthalpy of Vaporization: 50.45 kJ/mol; (21)Boiling Point: 266.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00862 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
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. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCC1=CC=C(C=C1)N
(2)InChI: InChI=1S/C11H17N/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-5,12H2,1H3
(3)InChIKey: DGFTWBUZRHAHTH-UHFFFAOYSA-N