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[1,4']Bipiperidinyl-3-carboxylic acid ethyl ester

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Name

[1,4']Bipiperidinyl-3-carboxylic acid ethyl ester

EINECS N/A
CAS No. 340962-71-2 Density 1.055 g/cm3
PSA 41.57000 LogP 1.28020
Solubility N/A Melting Point N/A
Formula C13H24N2O2 Boiling Point 327.4 °C at 760 mmHg
Molecular Weight 240.34 Flash Point 151.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 340962-71-2 ([1,4']Bipiperidinyl-3-carboxylic acid ethyl ester) Hazard Symbols N/A
Synonyms

4-[3-(Ethoxycarbonyl)piperidino]piperidine;[1,4'-Bipiperidine]-3-carboxylic acid, ethyl ester;

Article Data 3

[1,4']Bipiperidinyl-3-carboxylic acid ethyl ester Specification

The [1,4']Bipiperidinyl-3-carboxylic acid ethyl ester with the cas number 340962-71-2 is also called [1,4'-Bipiperidine]-3-carboxylic acid, ethyl ester. The systematic name is ethyl 1,4'-bipiperidine-3-carboxylate. Its molecular formula is C13H24N2O2.

The properties of the chemical are: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.57; (4)ACD/LogD (pH 7.4): -1.68 ; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 32.78Å2; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 66.65 cm3; (15)Molar Volume: 227.7 cm3; (16)Polarizability: 26.42×10-24cm3; (17)Surface Tension: 38.5 dyne/cm; (18)Enthalpy of Vaporization: 56.97 kJ/mol ; (19)Vapour Pressure: 0.000203 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C2CN(C1CCNCC1)CCC2
(2)InChI: InChI=1/C13H24N2O2/c1-2-17-13(16)11-4-3-9-15(10-11)12-5-7-14-8-6-12/h11-12,14H,2-10H2,1H3
(3)InChIKey: NCCMYMPJFQWVCO-UHFFFAOYAU

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