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Cas Database |
| Name |
Ethyl 4-(4-chloro-3-(trifluoromethyl)phenyl)-4-hydroxypiperidine-1-carboxylate |
EINECS | 244-664-1 |
| CAS No. | 21928-40-5 | Density | 1.37g/cm3 |
| PSA | 49.77000 | LogP | 3.73660 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C15H17ClF3NO3 | Boiling Point | 404.1 °C at 760 mmHg |
| Molecular Weight | 351.753 | Flash Point | 198.2 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-Piperidinecarboxylicacid, 4-(4-chloro-a,a,a-trifluoro-m-tolyl)-4-hydroxy-, ethyl ester (8CI);ethyl 4-(4-chloro-3-(trifluoromethyl)phenyl)-4-hydroxypiperidine-1- carboxylate; |
Article Data | 4 |
Ethyl 4-(4-chloro-3-(trifluoromethyl)phenyl)-4-hydroxypiperidine-1-carboxylate Specification
The Ethyl 4-(4-chloro-3-(trifluoromethyl)phenyl)-4-hydroxypiperidine-1-carboxylate, with cas registry number 21928-40-5, has the systematic name of ethyl 4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxylate. And its IUPAC name is the same one. What's more, its EINECS is 244-664-1.
Physical properties about this chemical are: (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 113.16; (6)ACD/BCF (pH 7.4): 113.16; (7)ACD/KOC (pH 5.5): 1027.17; (8)ACD/KOC (pH 7.4): 1027.17; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 78.02 cm3; (15)Molar Volume: 256.6 cm3; (16)Polarizability: 30.93×10-24cm3; (17)Surface Tension: 43.4 dyne/cm; (18)Enthalpy of Vaporization: 69.13 kJ/mol; (19)Vapour Pressure: 2.95E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)N2CCC(O)(c1ccc(Cl)c(c1)C(F)(F)F)CC2
(2)InChI: InChI=1/C15H17ClF3NO3/c1-2-23-13(21)20-7-5-14(22,6-8-20)10-3-4-12(16)11(9-10)15(17,18)19/h3-4,9,22H,2,5-8H2,1H3
(3)InChIKey: FZKYRYDPWDERJV-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C15H17ClF3NO3/c1-2-23-13(21)20-7-5-14(22,6-8-20)10-3-4-12(16)11(9-10)15(17,18)19/h3-4,9,22H,2,5-8H2,1H3
(5)Std. InChIKey: FZKYRYDPWDERJV-UHFFFAOYSA-N
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