CAS No.693-16-3,2-AMINOOCTANE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	693-16-3
Name:	2-AMINOOCTANE
Article Data:	101

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,