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| CAS No.: | 2869-34-3 |
|---|---|
| Name: | 1-AMINOTRIDECANE |
| Article Data: | 17 |
| Molecular Structure: | |
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|
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| Formula: | C13H29N |
| Molecular Weight: | 199.38 |
| Synonyms: | Tridecylamine(6CI,7CI,8CI);1-Aminotridecane;1-Tridecylamine;Monotridecylamine;Tridecanamine;n-Tridecylamine;Tridecan-1-amine; |
| EINECS: | 220-694-0 |
| Density: | 0.807 g/cm3 |
| Melting Point: | 30-32 °C(lit.) |
| Boiling Point: | 275.7 °C a t760 mmHg |
| Flash Point: | 110.6 °C |
| Appearance: | colorless to white crystalline low melting solid |
| Hazard Symbols: |
 C, N
|
| Risk Codes: | 22-50/53-34 |
| Safety: | 26-60-61-45-36/37/39 |
| Transport Information: | UN 3082 |
| PSA: | 26.02000 |
| LogP: | 4.95640 |
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Specification
The 1-Tridecanamine, with the CAS registry number 2869-34-3, is also known as 1-Aminotridecane. It belongs to the product categories of Alkylamines; Monofunctional & alpha,omega-Bifunctional Alkanes; Monofunctional Alkanes. Its EINECS number is 220-694-0. This chemical's molecular formula is C13H29N and formula weight is 199.38. What's more, its IUPAC name is tridecan-1-amine. Its classification code is Drug/Therapeutic Agent. It should be sealed and stored in a cool and dry place.
Physical properties of 1-Tridecanamine are: (1)ACD/LogP: 5.71; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.62; (4)ACD/LogD (pH 7.4): 2.84; (5)ACD/BCF (pH 5.5): 10.34; (6)ACD/BCF (pH 7.4): 17.16; (7)ACD/KOC (pH 5.5): 24.43; (8)ACD/KOC (pH 7.4): 40.53; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.445; (14)Molar Refractivity: 65.81 cm3; (15)Molar Volume: 246.8 cm3; (16)Surface Tension: 30.1 dyne/cm; (17)Density: 0.807 g/cm3; (18)Flash Point: 110.6 °C; (19)Enthalpy of Vaporization: 51.42 kJ/mol; (20)Boiling Point: 275.7 °C at 760 mmHg; (21)Vapour Pressure: 0.005 mmHg at 25°C.
Uses of 1-Tridecanamine: it can be used to produce 2-Chlor-4-(diallylamino)-6-tridecylamino-1,3,5-triazin at the ambient temperature. It will need reagent 10 N NaOH and solvent acetone. The yield is about 55%.
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When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and can cause burns. In case of contact with eyes, you need rinse immediately with plenty of water and seek medical advice. It is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. You should avoid releasing it to the environment just refering to special instructions/safety data sheet. This material and its container must be disposed of as hazardous waste. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCN
(2)InChI: InChI=1S/C13H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-14H2,1H3
(3)InChIKey: ABVVEAHYODGCLZ-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 70mg/kg (70mg/kg) | European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 517, 1991. |