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Cas Database |
| Name |
1-Benzyl 2-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate |
EINECS | 613-498-5 |
| CAS No. | 64187-48-0 | Density | 1.313 g/cm3 |
| PSA | 76.07000 | LogP | 0.86930 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C14H17NO5 | Boiling Point | 422.779 °C at 760 mmHg |
| Molecular Weight | 279.293 | Flash Point | 209.49 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1,2-Pyrrolidinedicarboxylicacid, 4-hydroxy-, 2-methyl 1-(phenylmethyl) ester, (2S-trans)-;(2S,4R)-1-(Benzyloxycarbonyl)-2-(methoxycarbonyl)-4-hydroxypyrrolidine;(2S,4R)-1-Benzyloxycarbonyl-4-hydroxypyrrolidin-2-carboxylic acid methyl ester;1-Benzyl 2-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;N-(Benzyloxycarbonyl)-4-hydroxyproline methyl ester;NSC 293847;Z-Hyp-Ome; |
Article Data | 59 |
1-Benzyl 2-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate Specification
The 1,2-Pyrrolidinedicarboxylicacid, 4-hydroxy-, 2-methyl 1-(phenylmethyl) ester, (2S,4R)-, with the CAS registry number 64187-48-0, is also known as 1-Benzyl 2-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate. This chemical's molecular formula is C14H17NO5 and molecular weight is 279.110673. Its IUPAC name is called 1-O-benzyl 2-O-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate.
Physical properties of 1,2-Pyrrolidinedicarboxylicacid, 4-hydroxy-, 2-methyl 1-(phenylmethyl) ester, (2S,4R)-: (1)ACD/LogP: 0.36 ; (2)#H bond acceptors: 6; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 6; (5)Index of Refraction: 1.572; (6)Molar Refractivity: 69.99 cm3; (7)Molar Volume: 212.6 cm3; (8)Surface Tension: 57.2 dyne/cm; (9)Density: 1.313 g/cm3; (10)Flash Point: 209.5 °C; (11)Enthalpy of Vaporization: 71.37 kJ/mol; (12)Boiling Point: 422.8 °C at 760 mmHg; (13)Vapour Pressure: 6.67E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)C1CC(CN1C(=O)OCC2=CC=CC=C2)O
(2)InChI: InChI=1S/C14H17NO5/c1-19-13(17)12-7-11(16)8-15(12)14(18)20-9-10-5-3-2-4-6-10/h2-6,11-12,16H,7-9H2,1H3
(3)InChIKey: VVKAGQHUUDRPOI-UHFFFAOYSA-N
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