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N-Ethylcyclohexylamine

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Name

N-Ethylcyclohexylamine

EINECS 226-733-8
CAS No. 5459-93-8 Density 0.844 g/cm3
PSA 12.03000 LogP 2.31950
Solubility N/A Melting Point -43oC
Formula C8H17N Boiling Point 164 °C at 760 mmHg
Molecular Weight 127.23 Flash Point 42.9 °C
Transport Information UN 2734 8/PG 2 Appearance clear colorless liquid with an ammonia-like odor
Safety 26-36/37/39-45 Risk Codes 10-20/21/22-35
Molecular Structure Molecular Structure of 5459-93-8 (N-Ethylcyclohexylamine) Hazard Symbols CorrosiveC
Synonyms

Cyclohexylamine,N-ethyl- (6CI,7CI,8CI);(Ethylamino)cyclohexane;Accelerator HX;Cyclohexylethylamine;N-Cyclohexyl-N-ethylamine;N-Cyclohexylethylamine;N-Ethyl-N-cyclohexylamine;N-Ethylcyclohexanamine;N-Ethylcyclohexylamine;NSC6272;Vulkacit HX;

Article Data 66

N-Ethylcyclohexylamine Consensus Reports

Reported in EPA TSCA Inventory.

N-Ethylcyclohexylamine Specification

The CAS register number of N-Ethylcyclohexylamine is 5459-93-8. It also can be called as Cyclohexanamine,N-ethyl- and the IUPAC name about this chemical is N-ethylcyclohexanamine. The molecular formula about this chemical is C8H17N and the molecular weight is 127.23. Classification code about this chemical is Skin / Eye Irritant. It can be store in a cool, dry, dark location in a tightly sealed container or cylinder.

Physical properties about N-Ethylcyclohexylamine are: (1)ACD/LogP: 2.16; (2)ACD/LogD (pH 5.5): -0.94; (3)ACD/LogD (pH 7.4): -0.85; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 3.24Å2; (12)Index of Refraction: 1.452; (13)Molar Refractivity: 40.66 cm3; (14)Molar Volume: 150.4 cm3; (15)Polarizability: 16.12x10-24cm3; (16)Surface Tension: 28.2 dyne/cm; (17)Flash Point: 42.9 °C; (18)Enthalpy of Vaporization: 40.05 kJ/mol; (19)Boiling Point: 164 °C at 760 mmHg; (20)Vapour Pressure: 2.01 mmHg at 25°C.

Preparation: this chemical can be prepared by cyclohexanone and ethylamine. This reaction will need reagent NaBH4 and glacial acetic acid. The reaction time is 2.5 hour(s) with reaction temperature of 20 ℃. The yield is about 35% .

Uses of N-Ethylcyclohexylamine: it can be used to produce chloro-acetic acid-(ethyl-cyclohexyl-amide) with chloroacetyl chloride at ambient temperature. This reaction will need reagent Et3N and solvent benzene with reaction time of 1 hours. The yield is about 74%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed, it is flammable and it can cause severe burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice and in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: N(CC)C1CCCCC1
(2)InChI: InChI=1/C8H17N/c1-2-9-8-6-4-3-5-7-8/h8-9H,2-7H2,1H3
(3)InChIKey: AGVKXDPPPSLISR-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C8H17N/c1-2-9-8-6-4-3-5-7-8/h8-9H,2-7H2,1H3
(5)Std. InChIKey: AGVKXDPPPSLISR-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 750uL/kg (0.75mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LCLo inhalation 500ppm/4H (500ppm)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 590mg/kg (590mg/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

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