Proline, 4-hydroxy-1-[(4-methylphenyl)sulfonyl]- supplier

Name
Proline, 4-hydroxy-1-[(4-methylphenyl)sulfonyl]-
EINECS
CAS No. 454473-66-6
Density 1.481 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₅NO₅S
Boiling Point 522.5 °C at 760 mmHg
Molecular Weight 285.321
Flash Point 269.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Hydroxy-1-(toluene-4-sulfonyl)-pyrrolidine-2-car;4-Hydroxy-1-[(4-methylphenyl)sulfonyl]proline;
PSA
LogP

Proline, 4-hydroxy-1-[(4-methylphenyl)sulfonyl]- Specification

The Proline, 4-hydroxy-1-[(4-methylphenyl)sulfonyl]-, with the CAS registry number 454473-66-6, is also known as 4-Hydroxy-1-(toluene-4-sulfonyl)-pyrrolidine-2-car. This chemical's molecular formula is C₁₂H₁₅NO₅S and molecular weight is 285.32. What's more, its systematic name is 4-hydroxy-1-[(4-methylphenyl)sulfonyl]proline.

Physical properties of Proline, 4-hydroxy-1-[(4-methylphenyl)sulfonyl]- are: (1)ACD/LogP: 0.36; (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: 6; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 81.29 Å²; (11)Index of Refraction: 1.627; (12)Molar Refractivity: 68.32 cm³; (13)Molar Volume: 192.5 cm³; (14)Polarizability: 27.08×10^-24cm³; (15)Surface Tension: 68.4 dyne/cm; (16)Density: 1.481 g/cm³; (17)Flash Point: 269.8 °C; (18)Enthalpy of Vaporization: 83.79 kJ/mol; (19)Boiling Point: 522.5 °C at 760 mmHg; (20)Vapour Pressure: 9.63E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1)C)N2C(C(=O)O)CC(O)C2
(2)Std. InChI: InChI=1S/C12H15NO5S/c1-8-2-4-10(5-3-8)19(17,18)13-7-9(14)6-11(13)12(15)16/h2-5,9,11,14H,6-7H2,1H3,(H,15,16)
(3)Std. InChIKey: UAFPTDLCLKLJKA-UHFFFAOYSA-N

Product Name

Proline, 4-hydroxy-1-[(4-methylphenyl)sulfonyl]-

Proline, 4-hydroxy-1-[(4-methylphenyl)sulfonyl]- Specification

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