ETHYL 1-(3-AMINOBENZYL)PIPERIDINE-4-CARBOXYLATE

The 4-Piperidinecarboxylicacid, 1-[(3-aminophenyl)methyl]-, ethyl ester, with the CAS registry number 306937-22-4, is also known as Ethyl 1-(3-aminobenzyl)piperidine-4-carboxylate. This chemical's molecular formula is C₁₅H₂₂N₂O₂ and molecular weight is 262.3474. Its systematic name is called ethyl 1-(3-aminobenzyl)piperidine-4-carboxylate.

Physical properties of 4-Piperidinecarboxylicacid, 1-[(3-aminophenyl)methyl]-, ethyl ester: (1)ACD/LogP: 1.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.12; (4)ACD/LogD (pH 7.4): 0.59; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.14; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 24.47; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.564; (13)Molar Refractivity: 75.61 cm³; (14)Molar Volume: 232.2 cm³; (15)Surface Tension: 48.4 dyne/cm; (16)Density: 1.129 g/cm³; (17)Flash Point: 186.1 °C; (18)Enthalpy of Vaporization: 63.28 kJ/mol; (19)Boiling Point: 384.1 °C at 760 mmHg; (20)Vapour Pressure: 4.18E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C2CCN(Cc1cc(N)ccc1)CC2
(2)InChI: InChI=1/C15H22N2O2/c1-2-19-15(18)13-6-8-17(9-7-13)11-12-4-3-5-14(16)10-12/h3-5,10,13H,2,6-9,11,16H2,1H3
(3)InChIKey: WXYBQSXOZUFNJY-UHFFFAOYAA