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

Name
METHYL 1-BENZYL-PIPERIDINE-3-CARBOXYLATE
EINECS
CAS No. 50585-91-6
Article Data1
CAS DataBase
Density 1.093 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₉NO₂
Boiling Point 310.755 °C at 760 mmHg
Molecular Weight 233.31
Flash Point 108.437 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 1-benzylpiperidine-3-carboxylate;
PSA 29.54000
LogP 2.00950

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

Product Name

METHYL 1-BENZYL-PIPERIDINE-3-CARBOXYLATE

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

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