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| CAS No.: | 2201-15-2 |
|---|---|
| Name: | Eticyclidine |
| Molecular Structure: | |
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| Formula: | C14H21N |
| Molecular Weight: | 203.327 |
| Synonyms: | Ethylphencyclidine;N-ethyl-1-phenylcyclohexylamine;Eticyclidine; |
| Density: | 0.96 g/cm3 |
| Melting Point: | 102.5-103.5 °C |
| Boiling Point: | 301.1 °C at 760 mmHg |
| Flash Point: | 136.8 °C |
| PSA: | 12.03000 |
| LogP: | 3.84640 |
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Specification
The Cyclohexanamine, N-ethyl-1-phenyl-, with the CAS registry number of 2201-15-2, is also known as Eticyclidine. This chemical's molecular formula is C14H21N and molecular weight is 203.327. What's more, its IUPAC name is N-Ethyl-1-phenylcyclohexan-1-amine.
Physical properties about Cyclohexanamine, N-ethyl-1-phenyl- are: (1)ACD/LogP: 3.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.73; (4)ACD/LogD (pH 7.4): 1.21; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.16; (7)ACD/KOC (pH 5.5): 2.31; (8)ACD/KOC (pH 7.4): 7.07; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 65.41 cm3; (15)Molar Volume: 210.8 cm3; (16)Polarizability: 25.93×10-24 cm3; (17)Surface Tension: 36.7 dyne/cm; (18)Density: 0.96 g/cm3; (19)Flash Point: 136.8 °C; (20)Enthalpy of Vaporization: 54.12 kJ/mol; (21)Boiling Point: 301.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00108 mmHg at 25 °C.
Uses of Cyclohexanamine, N-ethyl-1-phenyl-: it is used to produce other chemicals. For example, it is used to produce N-Allyl-N-ethyl-1-phenylcyclohexylamine hydrochloride. The reaction needs reagent K2CO3 and solvent Acetonitrile. What's more, the reaction time is 6 hours by heating. The yield is about 55%.
You can still convert the following data into molecular structure:
(1) SMILES: N(CC)C2(c1ccccc1)CCCCC2
(2) InChI: InChI=1/C14H21N/c1-2-15-14(11-7-4-8-12-14)13-9-5-3-6-10-13/h3,5-6,9-10,15H,2,4,7-8,11-12H2,1H3
(3) InChIKey: IFYLVUHLOOCYBG-UHFFFAOYAD