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Cas Database |
| Name |
tert-Butyl (2R)-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate |
EINECS | N/A |
| CAS No. | 128811-37-0 | Density | 1.183 g/cm3 |
| PSA | 66.84000 | LogP | 0.84270 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H17NO4 | Boiling Point | 370.861 °C at 760 mmHg |
| Molecular Weight | 215.249 | Flash Point | 178.09 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-Pyrrolidinecarboxylicacid, 2-(hydroxymethyl)-5-oxo-, 1,1-dimethylethyl ester, (R)- (9CI); |
Article Data | 4 |
tert-Butyl (2R)-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate Specification
The cas register number of tert-Butyl (2R)-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate is 128811-37-0. The Systematic name about this chemical is tert-butyl (2R)-2-(hydroxymethyl)-5-oxo-pyrrolidine-1-carboxylate.
Physical properties about tert-Butyl (2R)-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate are: storage temp: (1)ACD/LogP: 0.10 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 0.101 ; (4)ACD/LogD (pH 7.4): 0.101 ; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 27.024; (8)ACD/KOC (pH 7.4): 27.024; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 66.84Å2; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 53.187 cm3; (15)Molar Volume: 182.028 cm3; (16)Surface Tension: 44.156 dyne/cm; (17)Density: 1.183 g/cm3; (18)Flash Point: 178.09 °C; (19)Enthalpy of Vaporization: 71.488 kJ/mol; (20)Boiling Point: 370.861 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1.SMILES: CC(C)(C)OC(=O)N1[C@H](CCC1=O)CO
2.InChI: InChI=1/C10H17NO4/c1-10(2,3)15-9(14)11-7(6-12)4-5-8(11)13/h7,12H,4-6H2,1-3H3/t7-/m1/s1
3.InChIKey: NYYVBJAPYGKIEN-SSDOTTSWBB
4.Std. InChI: InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-7(6-12)4-5-8(11)13/h7,12H,4-6H2,1-3H3/t7-/m1/s1.
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