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2-Aminooctane

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Name

2-Aminooctane

EINECS 211-744-2
CAS No. 693-16-3 Density 0.784 g/cm3
PSA 26.02000 LogP 3.00430
Solubility N/A Melting Point 11.43°C (estimate)
Formula C8H19N Boiling Point 164 °C at 760 mmHg
Molecular Weight 129.246 Flash Point 50.6 °C
Transport Information UN 2734 8/PG 2 Appearance clear colourless to slightly yellow liquid
Safety 26-36/37/39-45 Risk Codes 10-22-34
Molecular Structure Molecular Structure of 693-16-3 (2-AMINOOCTANE) Hazard Symbols CorrosiveC
Synonyms

1-Methylheptylamine;Octan-2-amin;

Article Data 101

2-Aminooctane 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,

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