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Benzenamine, 4-hexyl-

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Benzenamine, 4-hexyl-

EINECS 251-409-8
CAS No. 33228-45-4 Density 0.93 g/cm3
PSA 26.02000 LogP 3.97280
Solubility Insoluble in water. Melting Point -45°C (estimate)
Formula C12H19N Boiling Point 283.822 °C at 760 mmHg
Molecular Weight 177.29 Flash Point 121.362 °C
Transport Information N/A Appearance clear yellow to red liquid
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 33228-45-4 (4-HEXYLANILINE) Hazard Symbols IrritantXi

Aniline,p-hexyl- (7CI,8CI);4-Hexylaniline;4-Hexylbenzenamine;4-Hexylphenylamine;4-n-Hexylaniline;p-Hexylaniline;p-n-Hexylaniline;

Article Data 16

Benzenamine, 4-hexyl- Specification

The Benzenamine, 4-hexyl-, with the CAS registry number 33228-45-4, is also known as Aniline, (p-hexyl)-. 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 registry number is 251-409-8. This chemical's molecular formula is C12H19N and molecular weight is 177.28596. Its IUPAC name is called 4-hexylaniline. This chemical's classification code is Drug / Therapeutic Agent. What's more, the product should be sealed and stored in cool, dry and well-ventilated place.

Physical properties of Benzenamine, 4-hexyl-: (1)ACD/LogP: 4.08; (2)ACD/LogD (pH 5.5): 3.962; (3)ACD/LogD (pH 7.4): 4.079; (4)ACD/BCF (pH 5.5): 566.52; (5)ACD/BCF (pH 7.4): 740.125; (6)ACD/KOC (pH 5.5): 3012.15; (7)ACD/KOC (pH 7.4): 3935.194; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.527; (12)Molar Refractivity: 58.57 cm3; (13)Molar Volume: 190.558 cm3; (14)Surface Tension: 36.644 dyne/cm; (15)Density: 0.93 g/cm3; (16)Flash Point: 121.362 °C; (17)Enthalpy of Vaporization: 52.277 kJ/mol; (18)Boiling Point: 283.822 °C at 760 mmHg; (19)Vapour Pressure: 0.003 mmHg at 25°C.

Preparation of Benzenamine, 4-hexyl-: this chemical can be prepared by 1-(4-nitrophenyl)hexane. This reaction will need reagents palladium/charcoal and ethanol.

Benzenamine, 4-hexyl- can be prepared by 1-(4-nitrophenyl)hexane

Uses of Benzenamine, 4-hexyl-: it can be used to produce 1-(4-hexyl-phenyl)-piperidin-4-one with 1,5-dichloro-pentan-3-one by heating. This reaction will need reagent Na2CO3 and solvent methanol with reaction time of 1.5 hours. The yield is about 60%.

Benzenamine, 4-hexyl- can be used to produce 1-(4-hexyl-phenyl)-piperidin-4-one with 1,5-dichloro-pentan-3-one

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, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCC1=CC=C(C=C1)N
(2)InChI: InChI=1S/C12H19N/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h7-10H,2-6,13H2,1H3

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 500mg/kg (500mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 89, Pg. 153, 1947.

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