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| CAS No.: | 189889-45-0 |
|---|---|
| Name: | 1-Boc-4-ethoxycarbonylmethoxypiperidine |
| Article Data: | 23 |
| Molecular Structure: | |
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| Formula: | C14H25NO5 |
| Molecular Weight: | 287.356 |
| Synonyms: | Tert-butyl 4-(ethoxycarbonylmethoxy)piperidine-1-carboxylate; |
| Density: | 1.101 g/cm3 |
| Boiling Point: | 381.251 °C at 760 mmHg |
| Flash Point: | 184.374 °C |
| PSA: | 65.07000 |
| LogP: | 1.90350 |
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- Total:3 Page 1 of 1 1
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Specification
The 1-Boc-4-ethoxycarbonylmethoxypiperidine, with the CAS registry number 189889-45-0, is also known as Tert-butyl 4-(ethoxycarbonylmethoxy)piperidine-1-carboxylate. This chemical's molecular formula is C14H25NO5 and molecular weight is 287.35. What's more, both its IUPAC name and systematic name are the same which is called Tert-butyl 4-(2-ethoxy-2-oxoethoxy)piperidine-1-carboxylate.
Physical properties about 1-Boc-4-ethoxycarbonylmethoxypiperidine are: (1) ACD/LogP: 2.08; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2; (4) ACD/LogD (pH 7.4): 2; (5) ACD/BCF (pH 5.5): 16; (6) ACD/BCF (pH 7.4): 16; (7) ACD/KOC (pH 5.5): 249; (8) ACD/KOC (pH 7.4): 249; (9) #H bond acceptors: 6; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 7; (12) Polar Surface Area: 65.07 Å2; (13) Index of Refraction: 1.48; (14) Molar Refractivity: 74.147 cm3; (15) Molar Volume: 261.017 cm3; (16) Surface Tension: 39.218 dyne/cm; (17) Density: 1.101 g/cm3; (18) Flash Point: 184.374 °C; (19) Enthalpy of Vaporization: 62.951 kJ/mol; (20) Boiling Point: 381.251 °C at 760 mmHg; (21) Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)N1CCC(OCC(=O)OCC)CC1
(2) InChI: InChI=1/C14H25NO5/c1-5-18-12(16)10-19-11-6-8-15(9-7-11)13(17)20-14(2,3)4/h11H,5-10H2,1-4H3
(3) InChIKey: BTANMNWDTQXBSP-UHFFFAOYAE