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| CAS No.: | 577691-56-6 |
|---|---|
| Name: | cis-tert-butyl 4-amino-3-fluoropiperidine-1-carboxylate |
| Molecular Structure: | |
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| Formula: | C10H19FN2O2 |
| Molecular Weight: | 218.271 |
| Synonyms: | cis-1,1-Dimethylethyl4-amino-3-fluoro-1-piperidinecarboxylate;cis-tert-Butyl4-amino-3-fluoropiperidine-1-carboxylate;rel-(3S,4R)-4-Amino-1-[tert-butoxycarbonyl]-3-fluoropiperidine; |
| Density: | 1.115 g/cm3 |
| Boiling Point: | 285.587 °C at 760 mmHg |
| Flash Point: | 126.519 °C |
| PSA: | 49.77000 |
| LogP: | 1.26410 |
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Specification
The cis-1,1-Dimethylethyl 4-amino-3-fluoro-1-piperidinecarboxylate, with the CAS registry number 577691-56-6, has molecular formula C10H19FN2O2. And its molecular weight is 218.27. Besides, its systematic name is called tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate.
Physical properties about cis-1,1-Dimethylethyl 4-amino-3-fluoro-1-piperidinecarboxylate are: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 55.56 Å2; (7)Index of Refraction: 1.481; (8)Molar Volume: 195.817 cm3; (9)Surface Tension: 37.291 dyne/cm; (10)Density: 1.115 g/cm3; (11)Flash Point: 126.519 °C; (12)Enthalpy of Vaporization: 52.464 kJ/mol; (13)Boiling Point: 285.587 °C at 760 mmHg; (14)Vapour Pressure: 0.003 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N1CC[C@@H](N)[C@@H](F)C1
(2)InChI: InChI=1/C10H19FN2O2/c1-10(2,3)15-9(14)13-5-4-8(12)7(11)6-13/h7-8H,4-6,12H2,1-3H3/t7-,8+/m0/s1
(3)InChIKey: ZQRYPCAUVKVMLZ-JGVFFNPUBD