1-Hexanamine,hydrochloride (1:1) supplier

Name
N-HEXYLAMINE HYDROCHLORIDE
EINECS 205-562-2
CAS No. 142-81-4
Article Data25
CAS DataBase
Density 0.77 g/cm3
Solubility almost transparency
Melting Point 221.0 to 225.0 °C
Formula C₆H₁₆ClN
Boiling Point 131.8°C at 760 mmHg
Molecular Weight 137.653
Flash Point 8.9°C
Transport Information
Appearance Colourless to yellow liquid; Fishy aroma
Safety
Risk Codes R36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1-Hexanamine,hydrochloride (9CI);Hexylamine, hydrochloride (8CI);1-Aminohexanehydrochloride;1-Hexylamine hydrochloride;Hexylammonium chloride;n-Hexylaminehydrochloride;n-Hexylammonium chloride;
PSA 26.02000
LogP 3.02770

Synthetic route

: 126424-16-6
2-hexyl-2-azabicyclo[2.2.1]hept-5-ene

: 142-81-4
1-hexylamine hydrochloride

Conditions

Conditions	Yield
copper(II) sulfate In ethanol at 70℃; for 5h;	99%

: 646-14-0
1-nitrohexane

: 142-81-4
1-hexylamine hydrochloride

Conditions

Conditions	Yield
Stage #1: 1-nitrohexane With iron(III)-acetylacetonate; hydrazine hydrate In methanol at 150℃; for 0.0333333h; Microwave irradiation; Stage #2: With hydrogenchloride In water; ethyl acetate chemoselective reaction;	97%
Stage #1: 1-nitrohexane With C36H56Cl3CrN2O; magnesium; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane In tetrahydrofuran at 60℃; for 24h; Inert atmosphere; Schlenk technique; Stage #2: With hydrogenchloride In tetrahydrofuran; water; ethyl acetate at 20℃;	93%

: 628-73-9
hexanenitrile

: 142-81-4
1-hexylamine hydrochloride

Conditions

Conditions	Yield
Stage #1: hexanenitrile With ammonium hydroxide; hydrogen; nano-dicobalt phosphide on hydrotalcite In isopropyl alcohol at 130℃; under 30003 Torr; for 1h; Autoclave; Stage #2: With hydrogenchloride In 1,4-dioxane	93%
Stage #1: hexanenitrile With fac-[Mn(1,2-bis(di-n-propylphosphino)ethane)(CO)3(CH3)]; hydrogen In toluene at 100℃; under 37503.8 Torr; for 18h; Autoclave; Stage #2: With hydrogenchloride In diethyl ether Inert atmosphere;	92%
Multi-step reaction with 2 steps 1: potassium hydroxide / Raney nickel / Heating 2: hydrochloric acid / H2O View Scheme
Multi-step reaction with 2 steps 1: carbonylhydrido(tetrahydroborato)[bis(2-diphenylphosphinoethyl)amino]ruthenium(II); hydrogen / isopropyl alcohol / 3 h / 100 °C / 22502.3 Torr / Autoclave 2: hydrogenchloride / isopropyl alcohol; diethyl ether; methanol View Scheme
Multi-step reaction with 2 steps 1: hydrogen; ammonia / toluene / 16 h / 120 °C / 22502.3 Torr / Autoclave 2: hydrogenchloride / diethyl ether / 20 °C View Scheme

: 628-02-4
Caproamide

: 142-81-4
1-hexylamine hydrochloride

Conditions

Conditions	Yield
Stage #1: Caproamide With bis(cyclopentadienyl)dihydrozirconium; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane at 20℃; under 760.051 Torr; for 24h; Inert atmosphere; Stage #2: With hydrogenchloride In diethyl ether Inert atmosphere;	78%
Stage #1: Caproamide With bis(tetrahydrofuran)calcium di(bis(trimethylsilyl)amide); 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane In toluene at 120℃; for 36h; Inert atmosphere; Schlenk technique; Stage #2: With hydrogenchloride In diethyl ether; toluene Inert atmosphere; Schlenk technique;	75%
Yield given. Multistep reaction;

: 126681-37-6
2-chloro-3-hexynylamine hydrochloride

: 142-81-4
1-hexylamine hydrochloride

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In ethanol for 1h;	29%

: 146039-08-9
Hexyl-phosphorimidic acid triethyl ester

: 142-81-4
1-hexylamine hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride In N,N-dimethyl-formamide; benzene for 2h; Ambient temperature; Yield given;

: Phosphoric acid mono-({4-[(Z)-hexyliminomethyl]-5-hydroxy-6-methyl-pyridin-3-yl}-phosphonooxy-methyl) ester; hydrochloride

A: 142-81-4
1-hexylamine hydrochloride

B: pyridoxal 5'-phosphate

Conditions

Conditions	Yield
With water at 20℃; for 12h; Equilibrium constant; pH 11.6; pH 12.0;

: N-hexyloxalamidine

A: 471-47-6
oxamic acid

B: 142-81-4
1-hexylamine hydrochloride

C: N-Hexyl-oxalamic acid

Conditions

Conditions	Yield
With sodium hydroxide hydrolysis;

...Expand

: 32838-32-7
hexyl-isopropyliden-amine

: 142-81-4
1-hexylamine hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride In water
With hydrogenchloride In water at 20℃; for 1h;

: 179320-74-2
N-(diphenylmethylene)hexan-1-amine

: 142-81-4
1-hexylamine hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride In diethyl ether for 6h;

: 66-25-1
hexanal

: 142-81-4
1-hexylamine hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: tetrahydrofuran; methanol / 1 h / 20 °C 1.2: 70 percent / sodium cyanoborohydride / tetrahydrofuran; methanol / 24 h 2.1: 2,3-dichloro-5,6-dicyanobenzoquinone; molecular sieves 4 Angstroem / benzene / 1 h / 60 °C 3.1: aq. HCl / diethyl ether / 6 h View Scheme

: 173949-23-0
N-diphenylmethyl-hexylamine

: 142-81-4
1-hexylamine hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 2,3-dichloro-5,6-dicyanobenzoquinone; molecular sieves 4 Angstroem / benzene / 1 h / 60 °C 2: aq. HCl / diethyl ether / 6 h View Scheme

: 6926-45-0
1-azidohexane

: 142-81-4
1-hexylamine hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: benzene; dimethylformamide / Ambient temperature 2: HCl / benzene; dimethylformamide / 2 h / Ambient temperature View Scheme

: 111-26-2
hexan-1-amine

: 142-81-4
1-hexylamine hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride In methanol; diethyl ether; isopropyl alcohol
With hydrogenchloride In methanol; diethyl ether at 20℃; Inert atmosphere;
With hydrogenchloride In diethyl ether at 20℃;

: 110-54-3
hexane

A: 142-81-4
1-hexylamine hydrochloride

B: 76716-22-8
hexan-3-amine hydrochloride

C: 85231-74-9
1-methyl-pentylamine hydrochloride

Conditions

Conditions	Yield
Stage #1: hexane With cerium(III) chloride; 1,1,1-trichloroethanol; di-tert-butyl-diazodicarboxylate; tetrabutyl-ammonium chloride In acetonitrile at 20℃; for 12h; Irradiation; Inert atmosphere; Sealed tube; Stage #2: With trifluoroacetic acid In dichloromethane at 20℃; for 1h; Reagent/catalyst; Further stages;

...Expand

: 50-00-0
formaldehyd

: 142-81-4
1-hexylamine hydrochloride

: 542-92-7
cyclopenta-1,3-diene

: 126424-16-6
2-hexyl-2-azabicyclo[2.2.1]hept-5-ene

Conditions

Conditions	Yield
In water	100%

...Expand

: 52218-17-4
2-imino-2H-1-benzopyran-3-carboxamide

: 142-81-4
1-hexylamine hydrochloride

: 2-[(Z)-Hexylimino]-2H-chromene-3-carboxylic acid amide

Conditions

Conditions	Yield
In ethanol; isopropyl alcohol for 0.5h; Heating;	97%

: 4524-93-0
Cyclopentanecarboxylic acid chloride

: 142-81-4
1-hexylamine hydrochloride

: N-hexylcyclopentanecarboxamide

Conditions

Conditions	Yield
With potassium carbonate In water; ethyl acetate	95%

: 75-15-0
carbon disulfide

: 142-81-4
1-hexylamine hydrochloride

: 130-15-4
[1,4]naphthoquinone

A: 65160-10-3
4,9-dioxo-4.9-dihydronaphtho[2,3-d]-1,3-dithiole-2-thione

B: 1438263-35-4
2-(hexylimino)naphtho[2,3-d][1,3]dithiole-4,9-dione

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0℃; for 4h;	A 10% B 85.5%

...Expand

: 142-81-4
1-hexylamine hydrochloride

: 19524-06-2
4-bromopyridine hydrochloride

: 64690-14-8
4-(n-hexylamino)pyridine

Conditions

Conditions	Yield
at 227℃; for 3.5h;	75%

: 117-80-6
2,3-Dichloro-1,4-naphthoquinone

: 75-15-0
carbon disulfide

: 142-81-4
1-hexylamine hydrochloride

: 1438263-35-4
2-(hexylimino)naphtho[2,3-d][1,3]dithiole-4,9-dione

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0℃; for 2.5h;	73.1%

...Expand

: 64-17-5
ethanol

Conditions

Conditions	Yield
With copper diacetate; air; palladium diacetate for 2h; Heating;	73%

...Expand

: 142-81-4
1-hexylamine hydrochloride

: lead(II) chloride

: [(hexylammonium)2PbCl4]

Conditions

Conditions	Yield
In N,N-dimethyl-formamide under N2; alkylammonium salt dissolved in DMF at room temp., Pb salt added, soln. stirred for 1 h; soln. poured into acetone, ppt. filtered off;	70%
mixing stoich. amts. of components; DSC;

: 142-81-4
1-hexylamine hydrochloride

: 1934-75-4
sodium dicyanamide

: N3-cyano-N1-guanidinohexane

Conditions

Conditions	Yield
In butan-1-ol for 18h; Reflux;	62%

: 142-81-4
1-hexylamine hydrochloride

: 593-51-1
methylamine hydrochloride

: lead(II) chloride

: [(hexylammonium)2(methylammonium)Pb2Cl7]

Conditions

Conditions	Yield
In N,N-dimethyl-formamide under N2; stoich. amts.; alkylammonium salts dissolved in DMF at 35°C, Pb salt added, soln. stirred for 1 h; soln. poured into acetone, ppt. sepd. by centrifugation;	60%

...Expand

: 142-81-4
1-hexylamine hydrochloride

: 593-51-1
methylamine hydrochloride

: lead(II) chloride

: [(hexylammonium)2(methylammonium)2Pb3Cl10]

Conditions

Conditions	Yield
In N,N-dimethyl-formamide under N2; alkylammonium salts dissolved in DMF at 35°C, Pb salt added; ratio of C6H13NH3I:CH3NH3I:PbCl2 = 2:3:3; soln. poured into acetone, ppt. sepd. by centrifugation;	60%

...Expand

: tetrabutylammonium octamolybdate

: 142-81-4
1-hexylamine hydrochloride

: [Bu4N]4[Mo6O18NC(C5H11)=C(C5H11)NMo6O18]

Conditions

Conditions	Yield
With N,N'-dicyclohexylcarbodiimide In acetonitrile byproducts: DCU, H2, (C4H9)4NCl; refluxed;	57%

: 142-81-4
1-hexylamine hydrochloride

: 2-chloro-6,7-dimethoxy-3-nitroquinoline

: N-hexyl-6,7-dimethoxy-3-nitroquinolin-2-amine

Conditions

Conditions	Yield
With triethylamine In ethanol at 80℃; for 1.5h; Microwave irradiation;	53%

: tetrabutylammonium octamolybdate

: 142-81-4
1-hexylamine hydrochloride

: (Bu4N)2[Mo6O18(N-hexyl)]

Conditions

Conditions	Yield
With N,N'-cyclohexylcarbodiimide In acetonitrile byproducts: N,N'-dicyclohexylurea; soln. of (Bu4N)4(α-Mo8O26), DCC and alkylamine hydrochloride in MeCN heated at 40°C for 120 h; soln. filtered, filtrate allowed to evap., residue recrystd. with acetone; elem. anal.;	50%

: 15894-70-9
1,6-bis(N3-cyano-N1-guanidino)hexane

: 142-81-4
1-hexylamine hydrochloride

: 109752-54-7
C22H48N10

Conditions

Conditions	Yield
at 155℃; for 2h;	50%

: 142-81-4
1-hexylamine hydrochloride

: 526-94-3, 868-18-8, 4504-50-1, 14475-11-7, 21106-15-0, 21348-52-7, 21595-79-9, 22476-77-3, 25817-08-7, 51307-92-7, 60131-40-0, 64183-71-7, 109175-69-1
sodium L-tartrate

: 411235-31-9
(R,R)-(+)-di-N,N'-hexyltartramide

Conditions

Conditions	Yield
at 20 - 180℃; for 0.416667h; microwave irradiation;	40%

: 204321-54-0
4,5-bis(3,5-di-tert-butylsalicylideneimine)benzo-18-crown-6

: 142-81-4
1-hexylamine hydrochloride

: 6018-89-9
nickel(II) acetate tetrahydrate

: 204321-65-3
nickel(II) 4,5-bis(3,5-di-tert-butylsalicylideneimine)benzo-18-crown-6*n-hexylammonium chloride

Conditions

Conditions	Yield
In methanol; dichloromethane soln. of Ni-acetate in MeOH added to soln. of 4,5-bis(3,5-tBu-salicylideneimine)benzo-18-C-6 in the presence of hexylammonium chloride; crystd. from MeOH/acetone upon slow evapn. of acetone;	40%

...Expand

: tetrabutylammonium octamolybdate

: 556-53-6
N-propylamine hydrochloride

: 142-81-4
1-hexylamine hydrochloride

A: [Bu4N]4[Mo6O18NC(C5H11)=C(C5H11)NMo6O18]

B: [Bu4N]4[Mo6O18NC(C2H5)=C(C2H5)NMo6O18]

C: [Bu4N]4[Mo6O18NC(C2H5)=C(C5H11)NMo6O18]

Conditions

Conditions	Yield
With N,N'-dicyclohexylcarbodiimide In acetonitrile byproducts: DCU, H2, (C4H9)4NCl; refluxed;	A n/a B n/a C 34%

...Expand

: 142-81-4
1-hexylamine hydrochloride

: potassium L-tartrate

: 411235-31-9
(R,R)-(+)-di-N,N'-hexyltartramide

Conditions

Conditions	Yield
at 20 - 180℃; for 0.416667h; microwave irradiation;	13%

: 142-81-4
1-hexylamine hydrochloride

: 66-25-1
hexanal

: 4,5-dibutyl-1-hexyl-2-pentylpyridinium chloride

Conditions

Conditions	Yield
In water at 20℃; for 24h; Chichibabin Pyridine Synthesis; Inert atmosphere;	10%

: 50-00-0
formaldehyd

: 100-97-0
hexamethylenetetramine

: 142-81-4
1-hexylamine hydrochloride

: 66-25-1
hexanal

Conditions

Conditions	Yield
Eintragen des Reaktionsgemisches in wss.Essigsaeure und anschliessendes Durchleiten von Wasserdampf;

...Expand

: 2983-35-9
1,1,2-triacetoxy-ethane

: 142-81-4
1-hexylamine hydrochloride

: 151-50-8
potassium cyanide

: 2361-85-5
DL-N-Hexyl-serin

Conditions

Conditions	Yield
(i) MeOH, (ii) aq. HCl; Multistep reaction;

...Expand

: 542-78-9
Malondialdehyde

: 142-81-4
1-hexylamine hydrochloride

: 151-50-8
potassium cyanide

: 2,4-Bis-hexylamino-pentanedinitrile

Conditions

Conditions	Yield
In water for 2h; Ambient temperature;

...Expand

: 1849-49-6
5'-deoxypyridoxal

: 142-81-4
1-hexylamine hydrochloride

: 128669-12-5
4-[(E)-Hexyliminomethyl]-2,5-dimethyl-pyridin-3-ol

Conditions

Conditions	Yield
With sodium hydroxide In water at 25℃; Rate constant; Equilibrium constant;

: 626-19-7
Isophthalaldehyde

: 142-81-4
1-hexylamine hydrochloride

: 151-50-8
potassium cyanide

: [3-(Cyano-hexylamino-methyl)-phenyl]-hexylamino-acetonitrile

Conditions

Conditions	Yield
In methanol; water for 2h; Ambient temperature;

...Expand

1-Hexanamine,hydrochloride (1:1) Specification

This chemical is called 1-Hexanamine, hydrochloride (1:1), and its CAS registry number is 142-81-4. With the molecular formula of C₆H₁₆ClN, its molecular weight is 137.65. In addition, this chemical should be sealed in the cool and dry place.

Other characteristics of the 1-Hexanamine, hydrochloride (1:1) can be summarised as followings: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.1; (4)ACD/LogD (pH 7.4): -0.89; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 3.24 Å²; (13)Flash Point: 8.9 °C; (14)Enthalpy of Vaporization: 36.54 kJ/mol; (15)Boiling Point: 131.8 °C at 760 mmHg; (16)Vapour Pressure: 9.12 mmHg at 25°C.

Production method of this chemical: The 1-Hexanamine, hydrochloride (1:1) could be obtained by the reactant of 2-hexyl-2-aza-bicyclo[2.2.1]hept-5-ene. This reaction needs the catalyst of CuSO₄, and the solvent of aq. ethanol. The yield is 99 %. In addition, this reaction should be taken for 5 hours at the temperature of 70 °C.

Uses of this chemical: The 1-Hexanamine, hydrochloride (1:1) could react with 4-bromo-pyridine; hydrochloride, and obtain the hexyl-pyridin-4-yl-amine. This reaction should be taken for 3.5 hours at the temperature of 227 °C. The yield is 75 %.

You can still convert the following datas into molecular structure:
1.SMILES: Cl.NCCCCCC
2.InChI: InChI=1/C6H15N.ClH/c1-2-3-4-5-6-7;/h2-7H2,1H3;1H
3.InChIKey: XKDUZXVNQOZCFC-UHFFFAOYAB

Product Name

N-HEXYLAMINE HYDROCHLORIDE

Synthetic route

1-Hexanamine,hydrochloride (1:1) Specification

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