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Name |
D-Proline,4-phenyl-, trans- (9CI) |
EINECS | N/A |
CAS No. | 103290-41-1 | Density | 1.186 g/cm3 |
PSA | 49.33000 | LogP | 1.54550 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H13NO2 | Boiling Point | 372.8 °C at 760 mmHg |
Molecular Weight | 191.23 | Flash Point | 179.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(4R)-4-Phenyl-D-proline; |
Article Data | 4 |
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