(2S,3R)-3-Phenylpyrrolidine-2-carboxylic acid supplier

Name
(2S,3R)-3-Phenylpyrrolidine-2-carboxylic acid
EINECS
CAS No. 118758-48-8
Article Data4
CAS DataBase
Density 1.186g/cm³
Solubility
Melting Point 234-236 °C
Formula C₁₁H₁₃NO₂
Boiling Point 372.8 °C at 760 mmHg
Molecular Weight 191.23
Flash Point 179.3 °C
Transport Information
Appearance white to off-white powder
Safety 37/39-26
Risk Codes 36/37/38-22
Molecular Structure
Hazard Symbols Xn
Synonyms L-Proline,3-phenyl-, trans-;(2S,3R)-3-Phenylpyrrolidine-2-carboxylic acid;(3R)-Phenylpyrrolidine-(2S)-carboxylic acid;3-Phenyl-L-Proline;
PSA 49.33000
LogP 1.54550

(2S,3R)-3-Phenylpyrrolidine-2-carboxylic acid Specification

The (2S,3R)-3-Phenylpyrrolidine-2-carboxylic acid with the cas number 118758-48-8 is also called L-Proline,3-phenyl-, trans-. Its molecular formula is C₁₁H₁₃NO₂. This chemical is white to off-white powder.

The properties of the chemical are: (1)ACD/LogP: 1.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.47; (4)ACD/LogD (pH 7.4): -1.47; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 52.34 cm³; (15)Molar Volume: 161.1 cm³; (16)Polarizability: 20.75×10^-24cm³; (17)Surface Tension: 46.4 dyne/cm; (18)Enthalpy of Vaporization: 65.4 kJ/mol; (19)Vapour Pressure: 3.22×10^-6 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is harmful if swallowed. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H]2NCC[C@@H]2c1ccccc1
(2)InChI: InChI=1/C11H13NO2/c13-11(14)10-9(6-7-12-10)8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2,(H,13,14)/t9-,10+/m1/s1
(3)InChIKey: VDEMEKSASUGYHM-ZJUUUORDBB

Product Name

(2S,3R)-3-Phenylpyrrolidine-2-carboxylic acid

(2S,3R)-3-Phenylpyrrolidine-2-carboxylic acid Specification

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