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3-Piperidinecarboxylic acid, 1-(phenylmethyl)-, methyl ester

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Name

3-Piperidinecarboxylic acid, 1-(phenylmethyl)-, methyl ester

EINECS N/A
CAS No. 50585-91-6 Density 1.093 g/cm3
PSA 29.54000 LogP 2.00950
Solubility N/A Melting Point N/A
Formula C14H19NO2 Boiling Point 310.755 °C at 760 mmHg
Molecular Weight 233.31 Flash Point 108.437 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 50585-91-6 (METHYL 1-BENZYL-PIPERIDINE-3-CARBOXYLATE) Hazard Symbols N/A
Synonyms

Methyl 1-benzylpiperidine-3-carboxylate;

Article Data 1

3-Piperidinecarboxylic acid, 1-(phenylmethyl)-, methyl ester Specification

The 3-Piperidinecarboxylic acid, 1-(phenylmethyl)-, methyl ester has the CAS registry number 50585-91-6. This chemical's molecular formula is C14H19NO2 and molecular weight is 233.31. What's more, its systematic name is methyl 1-benzylpiperidine-3-carboxylate. 

Physical properties of 3-Piperidinecarboxylic acid, 1-(phenylmethyl)-, methyl ester are: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 9; (7)ACD/KOC (pH 5.5): 2; (8)ACD/KOC (pH 7.4): 116; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 66.742 cm3; (15)Molar Volume: 213.43 cm3; (16)Polarizability: 26.459×10-24cm3; (17)Surface Tension: 42.355 dyne/cm; (18)Density: 1.093 g/cm3; (19)Flash Point: 108.437 °C; (20)Enthalpy of Vaporization: 55.162 kJ/mol; (21)Boiling Point: 310.755 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C2CN(Cc1ccccc1)CCC2
(2)InChI: InChI=1S/C14H19NO2/c1-17-14(16)13-8-5-9-15(11-13)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3
(3)InChIKey: UWMYSVPWAUCMJY-UHFFFAOYSA-N

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