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| CAS No.: | 483366-12-7 |
|---|---|
| Name: | (2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine |
| Molecular Structure: | |
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| Formula: | C10H16N2O3 |
| Molecular Weight: | 212.249 |
| Synonyms: | 1-Pyrroli;tert-Buty;LogP |
| Density: | 1.19 g/cm3 |
| Boiling Point: | 361.4 °C at 760 mmHg |
| Flash Point: | 172.4 °C |
| PSA: | 73.56000 |
| LogP: | 0.81818 |
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- Total:34 Page 1 of 1 1
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Specification
The CAS registry number of (2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine is 483366-12-7. The IUPAC name is (2S,4R)-2-cyano-4-hydroxy-pyrrolidine-1-carboxylate. In addition, the molecular formula is C10H16N2O3 and the molecular weight is 212.2456.
Physical properties about this chemical are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 5; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 73.56 Å2; (6)Index of Refraction: 1.511; (7)Molar Refractivity: 53.47 cm3; (8)Molar Volume: 178.2 cm3; (9)Polarizability: 21.2 ×10-24cm3; (10)Surface Tension: 48.9 dyne/cm; (11)Density: 1.19 g/cm3; (12)Flash Point: 172.4 °C; (13)Enthalpy of Vaporization: 70.28 kJ/mol; (14)Boiling Point: 361.4 °C at 760 mmHg; (15)Vapour Pressure: 1.11E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C#N
(2)InChI: InChI=1/C10H16N2O3/c1-10(2,3)15-9(14)12-6-8(13)4-7(12)5-11/h7-8,13H,4,6H2,1-3H3/t7-,8+/m0/s1
(3)InChIKey: UNVNZVOSYRUJTH-JGVFFNPUBZ