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| CAS No.: | 188792-70-3 |
|---|---|
| Name: | Ethyl 1-Boc-4-ethyl-4-piperidine carboxylate |
| Molecular Structure: | |
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| Formula: | C15H27NO4 |
| Molecular Weight: | 285.3792 |
| Synonyms: | 1,4-Piperidinedicarboxylic acid, 4-ethyl-, 1-(1,1-dimethylethyl) 4-ethyl ester; |
| Density: | 1.038 g/cm3 |
| Boiling Point: | 345.9 °C at 760 mmHg |
| Flash Point: | 163 °C |
| PSA: | 55.84000 |
| LogP: | 2.91470 |
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Specification
The Ethyl 1-Boc-4-ethyl-4-piperidine carboxylate, with the CAS registry number 188792-70-3, is also known as 1, 4-Piperidinedicarboxylic acid, 4-ethyl-, 1-(1, 1-dimethylethyl) 4-ethyl ester. It belongs to the product category of Amino Acids and Derivatives. This chemical's molecular formula is C15H27NO4 and molecular weight is 285.3792. What's more, its systematic name is O1-tert-Butyl O4-ethyl 4-ethylpiperidine-1, 4-dicarboxylate.
Physical properties about Ethyl 1-Boc-4-ethyl-4-piperidine carboxylate are: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.11; (4)ACD/LogD (pH 7.4): 3.11; (5)#H bond acceptors: 5; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 6; (8)Polar Surface Area: 55.84 Å2; (9)Index of Refraction: 1.467; (10)Molar Refractivity: 76.25 cm3; (11)Molar Volume: 274.8 cm3; (12)Polarizability: 30.22×10-24 cm3; (13)Surface Tension: 35.5 dyne/cm; (14)Density: 1.038 g/cm3; (15)Flash Point: 163 °C; (16)Enthalpy of Vaporization: 59 kJ/mol; (17)Boiling Point: 345.9 °C at 760 mmHg; (18)Vapour Pressure: 5.99E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)OCC
(2) InChI: InChI=1/C15H27NO4/c1-6-15(12(17)19-7-2)8-10-16(11-9-15)13(18)20-14(3,4)5/h6-11H2,1-5H3
(3) InChIKey: JLXSBKSGHPCYMR-UHFFFAOYAW