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Cyclohexanamine,N-cyclohexyl-N-ethyl- (7175-49-7)

Identification
Name:Cyclohexanamine,N-cyclohexyl-N-ethyl-
Synonyms:Dicyclohexylamine,N-ethyl- (6CI,7CI,8CI);Dicyclohexylethylamine;Ethyldicyclohexylamine;N-Cyclohexyl-N-ethylcyclohexanamine;N-Ethyldicyclohexylamine;NSC 221147;
CAS:7175-49-7
EINECS: 230-534-1
Molecular Formula: C14H27N
Molecular Weight: 209.37
InChI: InChI=1/C14H27N/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h13-14H,2-12H2,1H3/p+1
Molecular Structure: (C14H27N) Dicyclohexylamine,N-ethyl- (6CI,7CI,8CI);Dicyclohexylethylamine;Ethyldicyclohexylamine;N-Cyclohexyl-...
Properties
Transport:UN 2735
Flash Point: 90 ºC
Density:0.91
Refractive index:1.485
Appearance:clear colorless liquid
Specification:

The IUPAC name of N-Ethyldicyclohexylamine is N-cyclohexyl-N-ethylcyclohexanamine. With the CAS registry number 7175-49-7, it is also named as Cyclohexanamine,N-cyclohexyl-N-ethyl-. In addition, it is clear colorless liquid, which should be stored in closed containers and stored in a cool and dry warehouse away from the corrosion area. Moreover, its molecular formula is C14H27N and molecular weight is 209.37.

The other characteristics of this product can be summarized as: (1)EINECS: 230-534-1; (2)ACD/LogP: 4.71; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1.61; (5)ACD/LogD (pH 7.4): 1.71; (6)ACD/BCF (pH 5.5): 1.79; (7)ACD/BCF (pH 7.4): 2.22; (8)ACD/KOC (pH 5.5): 6.96; (9)ACD/KOC (pH 7.4): 8.63; (10)H bond acceptors: 1; (11)H bond donors: 0; (12)Freely Rotating Bonds: 3; (13)Polar Surface Area: 3.24 Å2; (14)Index of Refraction: 1.491; (15)Molar Refractivity: 66.62 cm3; (16)Molar Volume: 229.8 cm3; (17)Polarizability: 26.41×10-24cm3; (18)Surface Tension: 33.7 dyne/cm; (19)Density: 0.91 g/cm3; (20)Flash Point: 110.1 °C; (21)Enthalpy of Vaporization: 51.4 kJ/mol; (22)Boiling Point: 275.5 °C at 760 mmHg; (23)Vapour Pressure: 0.00507 mmHg at 25 °C.

Uses of N-Ethyldicyclohexylamine: it can react with Fluorosulfuric acid methyl ester to get N,N-Dicyclohexyl-N-ethyl-N-methyl-ammonium-fluorsulfonat.



This reaction needs CH2Cl2 at temperature of 20 °C. The reaction time is 30 min. The yield is 96 %.

When you are using this chemical, please be cautious about it as the following: N-Ethyldicyclohexylamine may cause burns. Please 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. Moreover, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES:N(CC)(C1CCCCC1)C2CCCCC2
(2)InChI:InChI=1/C14H27N/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h13-14H,2-12H2,1H3
(3)InChIKey:XRKQMIFKHDXFNQ-UHFFFAOYAR
(4)Std. InChI:InChI=1S/C14H27N/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h13-14H,2-12H2,1H3
(5)Std. InChIKey:XRKQMIFKHDXFNQ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 320mg/kg (320mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01937,

Packinggroup: III
Flash Point: 90 ºC
Safety Data
Hazard Symbols C: Corrosive