| Identification | |
| Name: | 4-Piperidinecarboxylicacid, 1-methyl-, methyl ester |
| Synonyms: | Isonipecoticacid, 1-methyl-, methyl ester (6CI,7CI,8CI);Methyl1-methylpiperidine-4-carboxylate;Methyl N-methylisonipecotinate; |
| CAS: | 1690-75-1 |
| Molecular Formula: | C8H15NO2 |
| Molecular Weight: | 157.21 |
| InChI: | InChI=1/C8H15NO2/c1-9-5-3-7(4-6-9)8(10)11-2/h7H,3-6H2,1-2H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.013 g/cm3 |
| Refractive index: | 1.457 |
| Appearance: | light yellow liquid |
| Specification: |
The IUPAC name of this chemical is methyl 1-methylpiperidine-4-carboxylate. With the CAS registry number 1690-75-1, it is also named as 4-piperidinecarboxylic acid, 1-methyl-, methyl ester. The product's categorie is pyridine series. It is light yellow liquid which is used as pharmaceutical intermediate. The other characteristics of Methyl N-methyl-4-piperidinecarboxylate can be summarized as: (1)ACD/LogP: 0.60; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1.6; (7)#H bond acceptors: 3; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.457; (11)Molar Refractivity: 42.28 cm3; (12)Molar Volume: 155.1 cm3; (13)Polarizability: 16.76×10-24 cm3; (14)Surface Tension: 32.5 dyne/cm; (15)Flash Point: 68 °C; (16)Enthalpy of Vaporization: 42.62 kJ/mol; (17)Boiling Point: 190 °C at 760 mmHg; (18)Vapour Pressure: 0.553 mmHg at 25; (19)Exact Mass: 157.110279; (20)MonoIsotopic Mass: 157.110279; (21)Topological Polar Surface Area: 29.5; (22)Heavy Atom Count: 11; (23)Complexity: 139. People can use the following data to convert to the molecule structure. |
| Safety Data | |
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