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| CAS No.: | 13147-09-6 |
|---|---|
| Name: | 4-propionyloxy-4-phenyl-N-methylpiperidine |
| Molecular Structure: | |
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| Formula: | C15H21NO2 |
| Molecular Weight: | 247.337 |
| Synonyms: | 4-Piperidinol,1-methyl-4-phenyl-, propanoate (ester) (9CI);4-Piperidinol,1-methyl-4-phenyl-, propionate (7CI);Propionic acid,1-methyl-4-phenyl-4-piperidyl ester (6CI);1-Methyl-4-phenyl-4-piperidinolpropionate;1-Methyl-4-phenyl-4-propionoxypiperidine;1-Methyl-4-phenyl-4-propionyloxypiperidine;3-Demethylprodine;Desmethylprodine;IK 13;PEPAP; |
| Density: | 1.07 g/cm3 |
| Boiling Point: | 328.9 °C at 760 mmHg |
| Flash Point: | 111.6 °C |
| PSA: | 29.54000 |
| LogP: | 2.49860 |
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This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.
Specification
The 4-Piperidinol,1-methyl-4-phenyl-, 4-propanoate, with the CAS registry number 13147-09-6, is also known as Propionic acid, 1-methyl-4-phenyl-4-piperidyl ester. Its molecular formula is C15H21NO2 and its molecular weight is 247.332740. However, this chemical causes parkinsonism.
Other characteristics of the 4-Piperidinol,1-methyl-4-phenyl-, 4-propanoate can be summarised as followings: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.18; (4)ACD/LogD (pH 7.4): 1.53; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 5.91; (7)ACD/KOC (pH 5.5): 1.58; (8)ACD/KOC (pH 7.4): 80.49; (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: 1.541; (14)Molar Refractivity: 72.12 cm3; (15)Molar Volume: 229.2 cm3; (16)Polarizability: 28.59×10-24cm3; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.07 g/cm3; (19)Flash Point: 111.6 °C; (20)Enthalpy of Vaporization: 57.13 kJ/mol; (21)Boiling Point: 328.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000184 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC2(c1ccccc1)CCN(C)CC2)CC
2.InChI: InChI=1/C15H21NO2/c1-3-14(17)18-15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
3.InChIKey: BCQMRZRAWHNSBF-UHFFFAOYAP