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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 | Hazard Symbols | C | |
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 |
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. |