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158567-93-2

Basic Information
CAS No.: 158567-93-2
Name: (2S,5R)-5-Phenylpyrrolidine-2-carboxylic acid
Molecular Structure:
Molecular Structure of 158567-93-2 ((2S,5R)-5-Phenylpyrrolidine-2-carboxylic acid)
Formula: C11H13NO2
Molecular Weight: 191.23
Synonyms: L-Proline,5-phenyl-, ethyl ester, cis-;
EINECS:
Density: 1.186 g/cm3
Melting Point:
Boiling Point: 365.7 °C at 760 mmHg
Flash Point: 175 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 49.33000
LogP: 1.89310
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Specification

The (2S,5R)-5-Phenylpyrrolidine-2-carboxylic acid is an organic compound with the formula C11H13NO2. The systematic name of this chemical is (2S,5R)-5-phenylpyrrolidine-2-carboxylic acid. With the CAS registry number 158567-93-2, it is also named as (5R)-5-Phenyl-L-proline.

Physical properties about (2S,5R)-5-Phenylpyrrolidine-2-carboxylic acid are: (1)ACD/LogP: 0.94; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 49.33 Å2; (10)Index of Refraction: 1.562; (11)Molar Refractivity: 52.34 cm3; (12)Molar Volume: 161.1 cm3; (13)Polarizability: 20.75×10-24cm3; (14)Surface Tension: 46.4 dyne/cm; (15)Density: 1.186 g/cm3; (16)Flash Point: 175 °C; (17)Enthalpy of Vaporization: 64.58 kJ/mol; (18)Boiling Point: 365.7 °C at 760 mmHg; (19)Vapour Pressure: 5.43E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)[C@H]2CC[C@H](N2)C(=O)O
(2)InChI: InChI=1/C11H13NO2/c13-11(14)10-7-6-9(12-10)8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2,(H,13,14)/t9-,10+/m1/s1
(3)InChIKey: SMWADGDVGCZIGK-ZJUUUORDBC
(4)Std. InChI: InChI=1S/C11H13NO2/c13-11(14)10-7-6-9(12-10)8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2,(H,13,14)/t9-,10+/m1/s1
(5)Std. InChIKey: SMWADGDVGCZIGK-ZJUUUORDSA-N