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| CAS No.: | 7307-55-3 |
|---|---|
| Name: | N-UNDECYLAMINE |
| Article Data: | 29 |
| Molecular Structure: | |
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| Formula: | C11H25N |
| Molecular Weight: | 171.326 |
| Synonyms: | Undecylamine(6CI,7CI,8CI);1-Aminoundecane;1-Undecylamine;Hendecylamine;Monoundecylamine;NSC 3398;n-Undecylamine; |
| EINECS: | 230-761-6 |
| Density: | 0.801 g/cm3 |
| Melting Point: | 15-17 °C (lit.) |
| Boiling Point: | 240.6 °C at 760 mmHg |
| Flash Point: | 92.2 °C |
| Appearance: | clear colourless to slightly yellow liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 26.02000 |
| LogP: | 4.17620 |
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Specification
The 1-Undecanamine, with the CAS registry number 7307-55-3, is also known as n-Undecylamine. It belongs to the product categories of Alkylamines; Monofunctional & alpha, omega-Bifunctional Alkanes; Monofunctional Alkanes. Its EINECS registry number is 230-761-6. This chemical's molecular formula is C11H25N and molecular weight is 171.32. What's more, its IUPAC name is Undecan-1-amine. This chemical's classification code is Drug / Therapeutic Agent. In addition, it must be stored in airtight containers and placed in a dry, cool place.
Physical properties about 1-Undecanamine are: (1)ACD/LogP: 4.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.55; (4)ACD/LogD (pH 7.4): 1.77; (5)ACD/BCF (pH 5.5): 1.61; (6)ACD/BCF (pH 7.4): 2.65; (7)ACD/KOC (pH 5.5): 6.45; (8)ACD/KOC (pH 7.4): 10.6; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.441; (14)Molar Refractivity: 56.54 cm3; (15)Molar Volume: 213.7 cm3; (16)Polarizability: 22.41×10-24 cm3; (17)Surface Tension: 29.6 dyne/cm; (18)Density: 0.801 g/cm3; (19)Flash Point: 92.2 °C; (20)Enthalpy of Vaporization: 47.75 kJ/mol; (21)Boiling Point: 240.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0377 mmHg at 25 °C.
Preparation of 1-Undecanamine: this chemical is prepared by Undecyl azide by heating. The reaction needs reagent AlI3 and solvent Benzene. The reaction time is 10 minutes. The yield is about 75 %.
Uses of 1-Undecanamine: it is used to produce other chemicals. For example, it is used to produce 3-Undecylamino-propionic acid ethyl ester. The reaction needs solvent Ethanol. The reaction time is 24 hours. The yield is about 90 %.
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When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: NCCCCCCCCCCC
(2) InChI: InChI=1/C11H25N/c1-2-3-4-5-6-7-8-9-10-11-12/h2-12H2,1H3
(3) InChIKey: QFKMMXYLAPZKIB-UHFFFAOYAD
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 78mg/kg (78mg/kg) | European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 517, 1991. |