L-Proline,5-oxo-1-(phenylacetyl)- (9CI) supplier

Name
5-oxo-1-(phenylacetyl)-L-proline
EINECS 277-470-0
CAS No. 73427-36-8
Article Data1
CAS DataBase
Density 1.369 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₃NO₄
Boiling Point 495.2 °C at 760 mmHg
Molecular Weight 247.251
Flash Point 253.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Oxo-1-(phenylacetyl)-L-proline;
PSA 74.68000
LogP 0.76920

L-Proline,5-oxo-1-(phenylacetyl)- (9CI) Specification

The L-Proline,5-oxo-1-(phenylacetyl)- (9CI), with the CAS registry number of 73427-36-8, is also known as 5-Oxo-1-(phenylacetyl)-L-proline. Its EINECS registry number is 277-470-0. Its molecular formula is C₁₃H₁₃NO₄ and molecular weight is 247.24662. What's more, its IUPAC name is (2S)-5-Oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid.

Physical properties about the L-Proline,5-oxo-1-(phenylacetyl)- (9CI) are: (1)ACD/LogP: 0.95; (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: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 74.68 Å²; (11)Index of Refraction: 1.602; (12)Molar Refractivity: 61.94 cm³; (13)Molar Volume: 180.4 cm³; (14)Surface Tension: 64.4 dyne/cm; (15)Density: 1.369 g/cm³; (16)Flash Point: 253.3 °C; (17)Enthalpy of Vaporization: 80.32 kJ/mol; (18)Boiling Point: 495.2 °C at 760 mmHg; (19)Vapour Pressure: 1.27E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2CC[C@@H](C(O)=O)N2C(=O)Cc1ccccc1
(2) InChI: InChI=1/C13H13NO4/c15-11-7-6-10(13(17)18)14(11)12(16)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,17,18)/t10-/m0/s1
(3) InChIKey: ORJNCNQYVLJMOS-JTQLQIEIBM

Product Name

5-oxo-1-(phenylacetyl)-L-proline

L-Proline,5-oxo-1-(phenylacetyl)- (9CI) Specification

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