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| CAS No.: | 693-16-3 |
|---|---|
| Name: | 2-AMINOOCTANE |
| Molecular Structure: | |
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|
|
| Formula: | C8H19N |
| Molecular Weight: | 129.246 |
| Synonyms: | 1-Methylheptylamine;Octan-2-amin; |
| EINECS: | 211-744-2 |
| Density: | 0.784 g/cm3 |
| Melting Point: | 11.43°C (estimate) |
| Boiling Point: | 164 °C at 760 mmHg |
| Flash Point: | 50.6 °C |
| Appearance: | clear colourless to slightly yellow liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 10-22-34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 2734 8/PG 2 |
| PSA: | 26.02000 |
| LogP: | 3.00430 |
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Specification
The N-octylamine, with the CAS registry number 693-16-3 and EINECS registry number 211-744-2, has the systematic name of octan-1-amine. It is a kind of clear colourless to slightly yellow liquid which is sensitive to air. And the molecular formula of this chemical is C8H19N. What's more, it is usually used as pesticide, and dye intermediate.
The physical properties of N-octylamine are as followings: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.04; (4)ACD/LogD (pH 7.4): 0.15; (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): 1.36; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.432; (14)Molar Refractivity: 42.64 cm3; (15)Molar Volume: 164.2 cm3; (16)Polarizability: 16.9×10-24cm3; (17)Surface Tension: 28.4 dyne/cm; (18)Density: 0.786 g/cm3; (19)Flash Point: 62.8 °C; (20)Enthalpy of Vaporization: 41.57 kJ/mol; (21)Boiling Point: 179.4 °C at 760 mmHg; (22)Vapour Pressure: 0.941 mmHg at 25°C.
Uses of N-octylamine: It can react with nitro-urea to produce Isooctylharnstoff. This reaction will need reagent H2O. The reaction time is 1 hour with temperature of 70°C, and the yield is about 68%.
You should be cautious while dealing with this chemical. It is a kind of flammable chemical which may cause burns, and it is also harmful if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contact with eyes, rinse immediately with plenty of water and seek medical advice; 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)SMILES: NCCCCCCCC
(2)InChI: InChI=1/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3
(3)InChIKey: IOQPZZOEVPZRBK-UHFFFAOYARmist.
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LDLo | skin | 100uL/kg (0.1mL/kg) | National Technical Information Service. Vol. OTS0555268, | |
| mouse | LD50 | intravenous | 23mg/kg (23mg/kg) | British Journal of Pharmacology and Chemotherapy. Vol. 7, Pg. 42, 1952. | |
| mouse | LDLo | oral | 50uL/kg (0.05mL/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | National Technical Information Service. Vol. OTS0555268, |
| rat | LD50 | oral | 165uL/kg (0.165mL/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA KIDNEY, URETER, AND BLADDER: HEMATURIA | National Technical Information Service. Vol. OTS0555268, |