L-Proline,1-benzoyl-4-hydroxy-, (4R)- supplier

Name
N-BENZOYL-4-HYDROXYPROLINE
EINECS
CAS No. 31560-19-7
Article Data6
CAS DataBase
Density 1.417 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₃NO₄
Boiling Point 489.186 °C at 760 mmHg
Molecular Weight 235.24
Flash Point 249.651 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (2S,4R)-1-Benzoyl-4-hydroxy-2-pyrrolidinecarboxylic acid;
PSA 77.84000
LogP 0.28450

L-Proline,1-benzoyl-4-hydroxy-, (4R)- Specification

The L-Proline,1-benzoyl-4-hydroxy-, (4R)-, with the CAS registry number of 31560-19-7, is also known as (2S,4R)-1-Benzoyl-4-hydroxy-2-pyrrolidinecarboxylic acid. Its molecular formula is C₁₂H₁₃NO₄ and molecular weight is 235.2359. What's more, its systematic name is (4R)-1-Benzoyl-4-hydroxy-L-proline.

Physical properties about the L-Proline,1-benzoyl-4-hydroxy-, (4R)- are: (1)ACD/LogP: 0.35; (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: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 77.84 Å²; (11)Index of Refraction: 1.634; (12)Molar Refractivity: 59.356 cm³; (13)Molar Volume: 166.029 cm³; (14)Surface Tension: 70.533 dyne/cm; (15)Density: 1.417 g/cm³; (16)Flash Point: 249.651 °C; (17)Enthalpy of Vaporization: 79.566 kJ/mol; (18)Boiling Point: 489.186 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O[C@@H]1C[C@@H](C(O)=O)N(C1)C(=O)c2ccccc2
(2) InChI: InChI=1/C12H13NO4/c14-9-6-10(12(16)17)13(7-9)11(15)8-4-2-1-3-5-8/h1-5,9-10,14H,6-7H2,(H,16,17)/t9-,10+/m1/s1
(3) InChIKey: YLJPKSKTKJEACX-ZJUUUORDBQ

Product Name

N-BENZOYL-4-HYDROXYPROLINE

L-Proline,1-benzoyl-4-hydroxy-, (4R)- Specification

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