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Cas Database |
| Name |
1,2-Pyrrolidinedicarboxylicacid, 4-oxo-, 2-methyl 1-(phenylmethyl) ester, (2S)- |
EINECS | N/A |
| CAS No. | 16217-15-5 | Density | 1.307g/cm3 |
| PSA | 72.91000 | LogP | 1.07750 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C14H15NO5 | Boiling Point | 422.051 °C at 760 mmHg |
| Molecular Weight | 277.277 | Flash Point | 209.049 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1,2-Pyrrolidinedicarboxylicacid, 4-oxo-, 1-benzyl methyl ester, L- (8CI);1,2-Pyrrolidinedicarboxylicacid, 4-oxo-, 2-methyl 1-(phenylmethyl) ester, (S)-;(S)-1-Benzyloxycarbonyl-4-oxoproline methyl ester; |
Article Data | 22 |
1,2-Pyrrolidinedicarboxylicacid, 4-oxo-, 2-methyl 1-(phenylmethyl) ester, (2S)- Specification
The 1,2-Pyrrolidinedicarboxylicacid, 4-oxo-, 2-methyl 1-(phenylmethyl) ester, (2S)-, with CAS registry number 16217-15-5, has the systematic name of 1-benzyl 2-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate. And the chemical formula of this chemical is C14H15NO5.
Physical properties of 1,2-Pyrrolidinedicarboxylicacid, 4-oxo-, 2-methyl 1-(phenylmethyl) ester, (2S)-: (1)ACD/LogP: 1.10; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 72.91 Å2; (7)Index of Refraction: 1.559; (8)Molar Refractivity: 68.532 cm3; (9)Molar Volume: 212.202 cm3; (10)Polarizability: 27.168×10-24cm3; (11)Surface Tension: 53.97 dyne/cm; (12)Density: 1.307 g/cm3; (13)Flash Point: 209.049 °C; (14)Enthalpy of Vaporization: 67.616 kJ/mol; (15)Boiling Point: 422.051 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)[C@H]2N(C(=O)OCc1ccccc1)CC(=O)C2
(2)InChI: InChI=1/C14H15NO5/c1-19-13(17)12-7-11(16)8-15(12)14(18)20-9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3/t12-/m0/s1
(3)InChIKey: XRFKZAWVKVORNI-LBPRGKRZBU
(4)Std. InChI: InChI=1S/C14H15NO5/c1-19-13(17)12-7-11(16)8-15(12)14(18)20-9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3/t12-/m0/s1
(5)Std. InChIKey: XRFKZAWVKVORNI-LBPRGKRZSA-N
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