-
Name
ETHYL 1-(4-AMINOPHENYL)-4-PIPERIDINECARBOXYLATE
- EINECS
- CAS No. 439095-52-0
- Article Data11
- CAS DataBase
- Density 1.139 g/cm3
- Solubility
- 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
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1-(4-Aminophenyl)piperidine-4-carboxylicacid ethyl ester;4-[4-(Ethoxycarbonyl)piperidin-1-yl]aniline;
- PSA 55.56000
- LogP 2.69450
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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