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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 | Hazard Symbols | N/A | |
Synonyms |
Methyl 1-benzylpiperidine-3-carboxylate; |
Article Data | 1 |
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