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Cas Database |
| Name |
1,2-Pyrrolidinedicarboxylicacid, 4-fluoro-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4R)- |
EINECS | N/A |
| CAS No. | 203866-18-6 | Density | 1.168 g/cm3 |
| PSA | 55.84000 | LogP | 1.44480 |
| Solubility | Insoluble in water. | Melting Point |
36-39°C |
| Formula | C11H18FNO4 | Boiling Point | 296.525 °C at 760 mmHg |
| Molecular Weight | 247.267 | Flash Point | 133.134 °C |
| Transport Information | N/A | Appearance | WHITE TO TAN SOLID, POWDER, CRYSTALS |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1,2-Pyrrolidinedicarboxylicacid, 4-fluoro-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S-trans)-; |
Article Data | 3 |
1,2-Pyrrolidinedicarboxylicacid, 4-fluoro-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4R)- Specification
The CAS register number of 1,2-Pyrrolidinedicarboxylicacid, 4-fluoro-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4R)- is 203866-18-6. It also can be called as (2S,4R)-4-Fluoropyrrolidine-1,2-dicarboxylic acid 1-tert-butyl 2-methyl diester and the systematic name about this chemical is 1-tert-butyl 2-methyl (2S,4R)-4-fluoropyrrolidine-1,2-dicarboxylate. The molecular formula about this chemical is C11H18FNO4 and the molecular weight is 247.26.
Physical properties about 1,2-Pyrrolidinedicarboxylicacid, 4-fluoro-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4R)- are: (1)ACD/LogP: 0.95; (2)#Freely Rotating Bonds: 4; (3)Polar Surface Area: 55.84Å2; (4)Index of Refraction: 1.465; (5)Molar Refractivity: 58.6 cm3; (6)Molar Volume: 211.6 cm3; (7)Polarizability: 23.23x10-24cm3; (8)Surface Tension: 36.3 dyne/cm; (9)Flash Point: 133.1 °C; (10)Enthalpy of Vaporization: 53.63 kJ/mol; (11)Boiling Point: 296.5 °C at 760 mmHg; (12)Vapour Pressure: 0.00143 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N1[C@H](C(=O)OC)C[C@@H](F)C1
(2)InChI: InChI=1/C11H18FNO4/c1-11(2,3)17-10(15)13-6-7(12)5-8(13)9(14)16-4/h7-8H,5-6H2,1-4H3/t7-,8+/m1/s1
(3)InChIKey: METPQQHVRNLTRX-SFYZADRCBA
(4)Std. InChI: InChI=1S/C11H18FNO4/c1-11(2,3)17-10(15)13-6-7(12)5-8(13)9(14)16-4/h7-8H,5-6H2,1-4H3/t7-,8+/m1/s1
(5)Std. InChIKey: METPQQHVRNLTRX-SFYZADRCSA-N
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