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Ethyl 1-(4-aminophenyl)-4-piperidinecarboxylate

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Name

Ethyl 1-(4-aminophenyl)-4-piperidinecarboxylate

EINECS N/A
CAS No. 439095-52-0 Density 1.139 g/cm3
PSA 55.56000 LogP 2.69450
Solubility N/A Melting Point 40-42 °C
Formula C14H20N2O2 Boiling Point 410.725 °C at 760 mmHg
Molecular Weight 248.325 Flash Point 202.199 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 439095-52-0 (ETHYL 1-(4-AMINOPHENYL)-4-PIPERIDINECARBOXYLATE) Hazard Symbols N/A
Synonyms

1-(4-Aminophenyl)piperidine-4-carboxylicacid ethyl ester;4-[4-(Ethoxycarbonyl)piperidin-1-yl]aniline;

Article Data 11

Ethyl 1-(4-aminophenyl)-4-piperidinecarboxylate Specification

The Ethyl 1-(4-aminophenyl)-4-piperidinecarboxylate, with the CAS registry number 439095-52-0, is also known as 1-(4-Aminophenyl)piperidine-4-carboxylicacid ethyl ester. This chemical's molecular formula is C14H20N2O2 and molecular weight is 248.32. What's more, its systematic name is Ethyl 1-(4-aminophenyl)-4-piperidinecarboxylate. 

Physical properties of Ethyl 1-(4-aminophenyl)-4-piperidinecarboxylate are: (1)ACD/LogP: 1.797; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.14; (4)ACD/LogD (pH 7.4): 1.40; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 5.49; (7)ACD/KOC (pH 5.5): 2.59; (8)ACD/KOC (pH 7.4): 90.88; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.56 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 70.889 cm3; (15)Molar Volume: 218.1 cm3; (16)Polarizability: 28.103×10-24cm3; (17)Surface Tension: 47.5 dyne/cm; (18)Density: 1.139 g/cm3; (19)Flash Point: 202.199 °C; (20)Enthalpy of Vaporization: 66.31 kJ/mol; (21)Boiling Point: 410.725 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C2CCN(c1ccc(N)cc1)CC2
(2)Std. InChI: InChI=1S/C14H20N2O2/c1-2-18-14(17)11-7-9-16(10-8-11)13-5-3-12(15)4-6-13/h3-6,11H,2,7-10,15H2,1H3
(3)Std. InChIKey: JXCDVJXPSHIHLP-UHFFFAOYSA-N 

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