| Identification | |
| Name: | 1,4-Piperidinedicarboxylicacid, 4-ethyl-, 1-(1,1-dimethylethyl) 4-methyl ester |
| Synonyms: | Methyl N-Boc-4-ethylpiperidine-4-carboxylate; |
| CAS: | 578021-55-3 |
| Molecular Formula: | C14H25NO4 |
| Molecular Weight: | 0 |
| InChI: | InChI=1/C7H11NO4/c9-6(10)5-1-3-8(4-2-5)7(11)12/h5H,1-4H2,(H,9,10)(H,11,12) |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.05 g/cm3 |
| Refractive index: | 1.549 |
| Specification: |
The systematic name of Methyl N-Boc-4-ethylpiperidine-4-carboxylate is O1-tert-butyl O4-methyl 4-ethylpiperidine-1,4-dicarboxylate. With the CAS registry number 578021-55-3, it is also named as 1,4-Piperidinedicarboxylicacid, 4-ethyl-, 1-(1,1-dimethylethyl) 4-methyl ester. The product's molecular formula is C14H25NO4 and its molecular weight is 271.35. The other characteristics of Methyl N-Boc-4-ethylpiperidine-4-carboxylate can be summarized as: (1)ACD/LogP: 2.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.647; (4)ACD/LogD (pH 7.4): 2.647; (5)ACD/BCF (pH 5.5): 60.445; (6)ACD/BCF (pH 7.4): 60.445; (7)ACD/KOC (pH 5.5): 655.707; (8)ACD/KOC (pH 7.4): 655.707; (9)H bond acceptors: 5; (10)H bond donors: 0; (11)Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.467; (14)Molar Refractivity: 71.622 cm3; (15)Molar Volume: 258.313 cm3; (16)Polarizability: 28.393×10-24cm3; (17)Surface Tension: 35.644 dyne/cm; (18)Density: 1.05 g/cm3; (19)Flash Point: 153.302 °C; (20)Enthalpy of Vaporization: 57.24 kJ/mol; (21)Boiling Point: 329.872 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C. People can use the following data to convert to the molecule structure. |
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