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CAS No.: | 143-27-1 |
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Name: | 1-Hexadecylamine |
Article Data: | 33 |
Molecular Structure: | |
Formula: | C16H35N |
Molecular Weight: | 241.461 |
Synonyms: | Hexadecylamine(8CI);1-Aminohexadecane;1-Hexadecanylamine;1-Hexadecanamine;Alamine 6;Alamine 6D;Amine PB;Armeen 16D;Cetylamine;Monohexadecylamine;NSC8489;Nissan Amine PB;Palmitamine;Palmitylamine;n-Cetylamine;n-Hexadecylamine; |
EINECS: | 205-596-8 |
Density: | 0,814 g/cm3 |
Melting Point: | 43-45 °C(lit.) |
Boiling Point: | 321.8 °C at 760 mmHg |
Flash Point: | 140.6 °C |
Solubility: | insoluble in water |
Appearance: | white low melting crystalline mass or chunks |
Hazard Symbols: | C |
Risk Codes: | 34 |
Safety: | 26-36/37/39-45 |
Transport Information: | UN 3259 8/PG 2 |
PSA: | 26.02000 |
LogP: | 6.12670 |
N-Boc-hexadecylamine
hexadecylamine
Conditions | Yield |
---|---|
With 3-butyl-l-methyl-1H-imidazol-3-iumtrifloroacetate In 1,4-dioxane; water at 80℃; for 1.5h; | 96% |
cetyl azide
hexadecylamine
Conditions | Yield |
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With tellurium; water at 275℃; for 4h; | 91% |
1-Hexadecanol
hexadecylamine
Conditions | Yield |
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With aluminum oxide; ammonia at 380 - 400℃; under 88260.9 - 95616 Torr; |
Conditions | Yield |
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With ethanol; ammonia at 170℃; |
Conditions | Yield |
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With ethanol; hydrogen; sodium at 120℃; under 14710.2 Torr; | |
With sodium hydroxide; nickel at 70℃; Hydrogenation; | |
With kieselguhr; ammonia; nickel at 135℃; Hydrogenation; |
N-hexadecyl-phthalimide
hexadecylamine
Conditions | Yield |
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With sodium hydroxide; ethanol | |
With ethanol; hydrazine hydrate anschliessendes Kochen mit konz. HCl; |
Conditions | Yield |
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With ammonia at 50℃; |
Conditions | Yield |
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With lithium aluminium tetrahydride; diethyl ether | |
With lithium aluminium tetrahydride In tetrahydrofuran for 1h; |
Conditions | Yield |
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With ammonia In ethanol; benzene | |
Yield given. Multistep reaction; | |
Multi-step reaction with 2 steps 2: ethanol; NaOH View Scheme |
palmitohydroxamic acid
hexadecylamine
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In tetrahydrofuran Heating; |
1-Hexadecylamine, with the CAS NO.143-27-1, is also called as 1-Hexadecanylamine;1-Hexadecylamine,straight-chainedC16; Alamine 6; alamine6; alamine6d; Amine 16D; AminePB. 1-Hexadecylamine is derived from the reduction of palm. It is used for producing resin, pesticide and senior detergent.
Physical properties about 1-Hexadecylamine are: (1)ACD/LogP:7.17; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.07; (4)ACD/LogD (pH 7.4): 4.29; (5)ACD/BCF (pH 5.5): 132.70; (6)ACD/BCF (pH 7.4): 220.55; (7)ACD/KOC (pH 5.5): 151.76; (8)ACD/KOC (pH 7.4): 252.23; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 15; (12)Index of Refraction: 1.451; (13)Molar Refractivity:79.71 cm3; (14)Molar Volume: 296.321 cm3; (15)Polarizability: 31.6 10-24cm3; (16)Surface Tension:30.742000579834 dyne/cm; (17)Density: 0.815 g/cm3; (18)Flash Point: 140.556 °C; (19)Enthalpy of Vaporization: 56.363 kJ/mol; (20)Boiling Point: 321.837 °C at 760 mmHg
When you are using 1-Hexadecylamine, please be cautious about it as the following:
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. Wear suitable protective clothing, gloves and eye/face protection;
3. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);
You can still convert the following datas into molecular structure:
(1)InChI=1S/C16H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-17H2,1H3;
(2)InChIKey=FJLUATLTXUNBOT-UHFFFAOYSA-N;
(3)SmilesC(CCCCCCCC)CCCCCCCN;
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 200mg/kg (200mg/kg) | National Technical Information Service. Vol. AD691-490, |