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| CAS No.: | 620611-27-0 |
|---|---|
| Name: | 4-Aminomethyl-4-fluoro-piperidine-1-carboxylic acid tert-butyl ester |
| Molecular Structure: | |
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| Formula: | C11H21FN2O2 |
| Molecular Weight: | 232.298 |
| Synonyms: | 4-(Aminomethyl)-4-fluoropiperidine-1-carboxylicacid tert-butyl ester; |
| Density: | 1.09 g/cm3 |
| Boiling Point: | 302.4 °C at 760 mmHg |
| Flash Point: | 136.7 °C |
| PSA: | 55.56000 |
| LogP: | 2.32250 |
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Specification
The 1-Piperidinecarboxylicacid, 4-(aminomethyl)-4-fluoro-, 1, 1-dimethylethyl ester, with the CAS registry number of 620611-27-0, is also known as 4-Aminomethyl-4-fluoro-piperidine-1-carboxylic acid tert-butyl ester. This chemical's molecular formula is C11H21FN2O2 and molecular weight is 232.297. What's more, its IUPAC name is tert-Butyl 4-(aminomethyl)-4-fluoropiperidine-1-carboxylate.
Physical properties about 1-Piperidinecarboxylicacid, 4-(aminomethyl)-4-fluoro-, 1, 1-dimethylethyl ester are: (1)ACD/LogP: 0.91; (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; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 55.56 Å2; (11)Index of Refraction: 1.483; (12)Molar Refractivity: 60.42 cm3; (13)Molar Volume: 211.3 cm3; (14)Polarizability: 23.95×10-24 cm3; (15)Surface Tension: 37.8 dyne/cm; (16)Density: 1.09 g/cm3; (17)Flash Point: 136.7 °C; (18)Enthalpy of Vaporization: 54.27 kJ/mol; (19)Boiling Point: 302.4 °C at 760 mmHg; (20)Vapour Pressure: 0.00099 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)OC(=O)N1CCC(CC1)(CN)F
(2) InChI: InChI=1/C11H21FN2O2/c1-10(2,3)16-9(15)14-6-4-11(12,8-13)5-7-14/h4-8,13H2,1-3H3
(3) InChIKey: FCYNTMBZASDPHJ-UHFFFAOYAQ