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N-Octylpyridin-4-amine

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Name

N-Octylpyridin-4-amine

EINECS 265-019-0
CAS No. 64690-19-3 Density 0.947 g/cm3
PSA 24.92000 LogP 3.92700
Solubility N/A Melting Point 70-73 °C(Solv: hexane (110-54-3))
Formula C13H22N2 Boiling Point 327.3 °C at 760 mmHg
Molecular Weight 206.331 Flash Point 151.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 64690-19-3 (N-octylpyridin-4-amine) Hazard Symbols N/A
Synonyms

N-octylpyridin-4-amine;4-(OCTYLAMINO)PYRIDINE;N-Octyl-4-pyridinamine;N-Octylpyridine-4-amine;N-oCLylpyridin-4-aMine;4-(Octylamino)pyridine/N-Octyl-4-pyridinamine

Article Data 14

N-Octylpyridin-4-amine Synthetic route

111-86-4

n-Octylamine

36316-71-9

2-chloropyridine hydrochloride

64690-19-3

4-(octylamino)pyridine

Conditions
ConditionsYield
With (R)-(-)-1-[(S)-2-(dicyclohexylphosphino)ferrocenyl]ethyl di-t-butylphosphine; sodium t-butanolate; palladium diacetate In 1,2-dimethoxyethane at 70℃; for 8h;93%
142-95-0

n-octylamine hydrochloride

7379-35-3

4-chlorpyridine hydrochloride

64690-19-3

4-(octylamino)pyridine

Conditions
ConditionsYield
at 120 - 200℃; for 7h;93%
With sodium hydroxide In water
111-86-4

n-Octylamine

19524-06-2

4-bromopyridine hydrochloride

64690-19-3

4-(octylamino)pyridine

Conditions
ConditionsYield
With sodium t-butanolate; palladium diacetate; (R)-(-)-1-[(S)-2-(dicyclohexylphosphino)ferrocenyl]ethyl di-t-butylphosphine In 1,2-dimethoxyethane at 100℃; for 36h;93%
With [(CyPF-tBu)PdCl2]; sodium t-butanolate In 1,2-dimethoxyethane at 100℃; for 30h; Inert atmosphere; Sealed vial;88%
504-24-5

4-aminopyridine

124-13-0

Octanal

64690-19-3

4-(octylamino)pyridine

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In ethanol at 70 - 90℃; under 2327.2 Torr; for 4.5h;88%
With palladium 10% on activated carbon; hydrogen In ethanol at 80℃; under 2625.26 Torr; Solvent; Pressure; Reagent/catalyst;74.1%
palladium
111-86-4

n-Octylamine

7379-35-3

4-chlorpyridine hydrochloride

64690-19-3

4-(octylamino)pyridine

Conditions
ConditionsYield
With sodium t-butanolate; palladium diacetate; (R)-(-)-1-[(S)-2-(dicyclohexylphosphino)ferrocenyl]ethyl di-t-butylphosphine In 1,2-dimethoxyethane at 90℃; for 24h;83%
With sodium fluoride at 130℃; for 2h; Large scale;78.5%
4783-86-2

4-phenoxypyridine

142-95-0

n-octylamine hydrochloride

64690-19-3

4-(octylamino)pyridine

Conditions
ConditionsYield
at 180 - 200℃; for 4h;80%
626-61-9

4-Chloropyridine

111-86-4

n-Octylamine

64690-19-3

4-(octylamino)pyridine

Conditions
ConditionsYield
With sodium hydroxide; water In 1,4-dioxane at 100℃; under 6000480 Torr; for 36h; Substitution;80%
15854-87-2

4-iodopyridine

111-86-4

n-Octylamine

64690-19-3

4-(octylamino)pyridine

Conditions
ConditionsYield
With sodium t-butanolate; palladium diacetate; (R)-(-)-1-[(S)-2-(dicyclohexylphosphino)ferrocenyl]ethyl di-t-butylphosphine In 1,2-dimethoxyethane at 100℃; for 48h;80%

4-methyl-N-octyl-N-(pyridin-4-yl)benzenesulfonamide

64690-19-3

4-(octylamino)pyridine

Conditions
ConditionsYield
With tetraethylammonium perchlorate; triethylamine In dimethyl sulfoxide at 20℃; for 9h; Electrolysis; Green chemistry;79%
504-24-5

4-aminopyridine

629-27-6

1-Iodooctane

64690-19-3

4-(octylamino)pyridine

Conditions
ConditionsYield
Stage #1: 4-aminopyridine With sodium amide In 1,4-dioxane
Stage #2: 1-Iodooctane

N-Octylpyridin-4-amine Specification

This chemical is called N-Octylpyridin-4-amine, and it can also be named as 4-pyridinamine, N-octyl-. With the molecular formula of C13H22N2, its molecular weight is 206.33. The CAS registry number of this chemical is 64690-19-3, and it is white crystal.

Other characteristics of the N-Octylpyridin-4-amine can be summarised as followings: (1)ACD/LogP: 3.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.49; (4)ACD/LogD (pH 7.4): 2.87; (5)ACD/BCF (pH 5.5): 2.21; (6)ACD/BCF (pH 7.4): 52.31; (7)ACD/KOC (pH 5.5): 13.37; (8)ACD/KOC (pH 7.4): 316.14; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 16.13 Å2; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 66.38 cm3; (15)Molar Volume: 217.6 cm3; (16)Polarizability: 26.31×10-24cm3; (17)Surface Tension: 37.5 dyne/cm; (18)Density: 0.947 g/cm3; (19)Flash Point: 151.7 °C; (20)Enthalpy of Vaporization: 56.96 kJ/mol; (21)Boiling Point: 327.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000204 mmHg at 25°C.

Production method of this chemical: The N-Octylpyridin-4-amine could be obtained by the reactants of pyridin-4-ylamine and octanal. This reaction needs the reagent of H2, the solvent of ethanol and the catalyst of 10percent Pd/C. The yield is 88 %. In addition, this reaction should be taken for 4.5 hours at the temperature of 70-90 °C.

Uses of this chemical: The N-(1-octyl-4(1H)-pyridinylidene)octanamine monohydrochloride could be obtained by the reactants of N-Octylpyridin-4-amine and 1-chloro-octane. This reaction should be taken for 2 hours at the temperature of 180 °C. The yield is 94 %.

You can still convert the following datas into molecular structure: 
1.SMILES: n1ccc(NCCCCCCCC)cc1
2.InChI: InChI=1/C13H22N2/c1-2-3-4-5-6-7-10-15-13-8-11-14-12-9-13/h8-9,11-12H,2-7,10H2,1H3,(H,14,15)
3.InChIKey: RHDWCSIBVZKRRU-UHFFFAOYAV

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