D-Proline,4-phenyl-, trans- (9CI) supplier

Name
(2R,4S)-4-PHENYLPYRROLIDINE-2-CARBOXYLIC ACID
EINECS
CAS No. 103290-41-1
Article Data4
CAS DataBase
Density 1.186 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₃NO₂
Boiling Point 372.8 °C at 760 mmHg
Molecular Weight 191.23
Flash Point 179.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (4R)-4-Phenyl-D-proline;
PSA 49.33000
LogP 1.54550

D-Proline,4-phenyl-, trans- (9CI) Specification

The CAS registry number of D-Proline,4-phenyl-, trans- (9CI) is 103290-41-1. This chemical is also named as (4R)-4-Phenyl-D-proline. In addition, its molecular formula is C₁₁H₁₃NO₂ and molecular weight is 191.229. Its systematic name is called (2R,4R)-4-phenylpyrrolidine-2-carboxylic acid.

Physical properties about D-Proline,4-phenyl-, trans- (9CI) are: (1)ACD/LogP: 0.83; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.562; (11)Molar Refractivity: 52.34 cm³; (12)Molar Volume: 161.1 cm³; (13)Surface Tension: 46.4 dyne/cm; (14)Density: 1.186 g/cm³; (15)Flash Point: 179.3 °C; (16)Enthalpy of Vaporization: 65.4 kJ/mol; (17)Boiling Point: 372.8 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)[C@H]2C[C@@H](NC2)C(=O)O
(2)InChI: InChI=1/C11H13NO2/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2,(H,13,14)/t9-,10+/m0/s1
(3)InChIKey: JHHOFXBPLJDHOR-VHSXEESVBQ

Product Name

(2R,4S)-4-PHENYLPYRROLIDINE-2-CARBOXYLIC ACID

D-Proline,4-phenyl-, trans- (9CI) Specification

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