(2S,5R)-5-Phenylpyrrolidine-2-carboxylic acid supplier

Name
(2S,5R)-5-Phenylpyrrolidine-2-carboxylic acid
EINECS
CAS No. 158567-93-2
Article Data2
CAS DataBase
Density 1.186 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₃NO₂
Boiling Point 365.7 °C at 760 mmHg
Molecular Weight 219.283
Flash Point 175 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms L-Proline,5-phenyl-, ethyl ester, cis-;
PSA 49.33000
LogP 1.89310

(2S,5R)-5-Phenylpyrrolidine-2-carboxylic acid 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

Product Name

(2S,5R)-5-Phenylpyrrolidine-2-carboxylic acid

(2S,5R)-5-Phenylpyrrolidine-2-carboxylic acid Specification

Related Products

Hot Products