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2016-42-4

Basic Information
CAS No.: 2016-42-4
Name: 1-Tetradecylamine
Article Data: 29
Molecular Structure:
Molecular Structure of 2016-42-4 (1-Tetradecylamine)
Formula: C14H31N
Molecular Weight: 213.407
Synonyms: Tetradecylamine(6CI,8CI);1-Aminotetradecane;1-Tetradecylamine;Alamine 5D;Armeen 14;Armeen14D;Farmin 40D;Monotetradecylamine;Myristylamine;NSC 66437;Nissan AmineMB;Tetradecanamine;n-Tetradecylamine;
EINECS: 217-950-9
Density: 0.81 g/cm3
Melting Point: 37-42 °C
Boiling Point: 291.921 °C at 760 mmHg
Flash Point: 120.218 °C
Solubility: insoluble in water
Appearance: white to pink crystals or crystalline solid
Hazard Symbols: CorrosiveC
Risk Codes: 34
Safety: 26-45-36/37/39
PSA: 26.02000
LogP: 5.34650
Synthetic route
629-63-0

myristonitrile

2016-42-4

tetradecylamine

Conditions
ConditionsYield
With samarium diiodide; water; triethylamine In tetrahydrofuran at 20℃; for 0.0833333h; Inert atmosphere;94%
With sodium hydroxide; nickel at 70℃; Hydrogenation;
With kieselguhr; ammonia; nickel at 135℃; Hydrogenation;
With ethanol; sodium
70337-78-9, 70337-79-0, 140428-88-2

1-(2-aminoethyl)-β-D-galactopyranoside

4877-14-9

tetradecyl isocyanate

A

2016-42-4

tetradecylamine

B

1-Tetradecyl-3-[2-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-ethyl]-urea

Conditions
ConditionsYield
In methanol; isopropyl alcohol at 20℃; for 2h;A n/a
B 92%
638-58-4

tetradecanamide

2016-42-4

tetradecylamine

Conditions
ConditionsYield
With lithium aluminium tetrahydride In tetrahydrofuran at 65℃; Concentration;89.5%
With lithium aluminium tetrahydride In tetrahydrofuran at 65℃; Reflux;89.5%
With lithium aluminium tetrahydride In tetrahydrofuran Reflux;89.5%
With lithium aluminium tetrahydride In tetrahydrofuran at 20℃; Reflux;89.5%
With lithium aluminium tetrahydride; diethyl ether
629-63-0

myristonitrile

A

2016-42-4

tetradecylamine

B

112-72-1

1-Tetradecanol

Conditions
ConditionsYield
With samarium diiodide; water; triethylamine; diisopropylamine In tetrahydrofuran at 20℃; for 2h; Inert atmosphere;A 86%
B 13%
77165-64-1

myristoyl azide

2016-42-4

tetradecylamine

Conditions
ConditionsYield
Stage #1: myristoyl azide With hydrogenchloride In water at 50℃; for 3h; Reflux;
Stage #2: With tetrabutylammomium bromide; sodium hydroxide In water at 60℃; for 1h; pH=> 9; Temperature;
85.9%

N-cyclopropyl-N-tetradecyl-4-methylbenzenesulfonamide

A

536-57-2

p-toluene sulfinic acid

B

2016-42-4

tetradecylamine

Conditions
ConditionsYield
With N1,N1,N12,N12-tetramethyl-7,8-dihydro-6H-dipyrido[1,2-a:2,1'-c][1,4]diazepine-2,12-diamine In N,N-dimethyl-formamide for 72h; UV-irradiation;A 78%
B 85%
123-75-1

pyrrolidine

629-63-0

myristonitrile

A

74673-29-3

1-tetradecylpyrrolidine

B

2016-42-4

tetradecylamine

C

112-72-1

1-Tetradecanol

Conditions
ConditionsYield
With samarium diiodide; water; triethylamine In tetrahydrofuran at 20℃; for 0.0833333h; Inert atmosphere;A 24%
B 71%
C 4.4%
544-63-8

n-tetradecanoic acid

A

2016-42-4

tetradecylamine

B

17361-44-3

ditetradecylamine

C

N-tetradecyltetradecanamide

Conditions
ConditionsYield
Stage #1: n-tetradecanoic acid With cyclopentyl methyl ether; ammonia at 200℃; under 4500.45 Torr; Sealed tube; Green chemistry;
Stage #2: With cyclopentyl methyl ether; ammonia; hydrogen at 200℃; under 42004.2 Torr; for 6.5h; Cooling with ice; Green chemistry;
A 70%
B 20%
C 6%
629-63-0

myristonitrile

109-73-9

N-butylamine

A

2016-42-4

tetradecylamine

B

19141-94-7

Butyl-tetradecyl-amine

Conditions
ConditionsYield
With samarium diiodide; water; triethylamine In tetrahydrofuran at 20℃; for 0.0833333h; Inert atmosphere;A 51%
B 48%
3151-46-0

N-tetradecyl-succinamic acid

2016-42-4

tetradecylamine

Conditions
ConditionsYield
With hydrogenchloride
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Specification

The 1-Tetradecylamine, with the cas registry number 2016-42-4 and EINECS registry number 217-950-9, has the systematic name of tetradecan-1-amine. The molecular formula of the chemical is C14H31N. And it belongs to the following product categories: Alkylamines; Monofunctional & alpha,omega-Bifunctional Alkanes; Monofunctional Alkanes.

The characteristics of this chemical are as followings: (1)ACD/LogP: 6.24; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.15; (4)ACD/LogD (pH 7.4): 3.37; (5)ACD/BCF (pH 5.5): 26.21; (6)ACD/BCF (pH 7.4): 43.54; (7)ACD/KOC (pH 5.5): 47.53; (8)ACD/KOC (pH 7.4): 78.95; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.447; (14)Molar Refractivity: 70.44 cm3; (15)Molar Volume: 263.3 cm3; (16)Polarizability: 27.92×10-24cm3; (17)Surface Tension: 30.3 dyne/cm; (18)Density: 0.81 g/cm3; (19)Flash Point: 120.2 °C; (20)Enthalpy of Vaporization: 53.14 kJ/mol; (21)Boiling Point: 291.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00189 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin and may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice, what's more, if you feel unwell, seek medical advice immediately (show label where possible).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: NCCCCCCCCCCCCCC
(2)InChI: InChI=1/C14H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-15H2,1H3
(3)InChIKey: PLZVEHJLHYMBBY-UHFFFAOYAN

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 700mg/kg (700mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 517, 1991.