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| CAS No.: | 192214-06-5 |
|---|---|
| Name: | 1,3-Pyrrolidinedicarboxylic acid, 1-(phenylmethyl)easter, (R) |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C13H15NO4 |
| Molecular Weight: | 249.266 |
| Synonyms: | 1,3-Pyrrolidinedicarboxylicacid, 1-(phenylmethyl) ester, (R)-;(R)-1-Cbz-Pyrrolidine-3-carboxylic acid;(3R)-1-Benzyloxycarbonylpyrrolidine-3-carboxylic acid; |
| Density: | 1.309 g/cm3 |
| Boiling Point: | 432.3 °C at 760 mmHg |
| Flash Point: | 215.3 °C |
| PSA: | 66.84000 |
| LogP: | 1.66760 |
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- Total:32 Page 1 of 1 1
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Specification
The 1,3-Pyrrolidinedicarboxylicacid, 1-(phenylmethyl) ester, (3R)-, with the CAS registry number 192214-06-5, is also known as (R)-1-Cbz-Pyrrolidine-3-carboxylic acid. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C13H15NO4 and molecular weight is 249.26. What's more, its systematic name is (3R)-1-benzyloxycarbonylpyrrolidine-3-carboxylic acid.
Physical properties of 1,3-Pyrrolidinedicarboxylicacid, 1-(phenylmethyl) ester, (3R)- are: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 66.84 Å2; (7)Index of Refraction: 1.582; (8)Molar Refractivity: 63.55 cm3; (9)Molar Volume: 190.3 cm3; (10)Polarizability: 25.19×10-24cm3; (11)Surface Tension: 58.5 dyne/cm; (12)Density: 1.309 g/cm3; (13)Flash Point: 215.3 °C; (14)Enthalpy of Vaporization: 72.53 kJ/mol; (15)Boiling Point: 432.3 °C at 760 mmHg; (16)Vapour Pressure: 3.06E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H]1CCN(C1)C(=O)OCc2ccccc2
(2)Std. InChI: InChI=1S/C13H15NO4/c15-12(16)11-6-7-14(8-11)13(17)18-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16)/t11-/m1/s1
(3)Std. InChIKey: JSASVUTVTRNJHA-LLVKDONJSA-N