L-Proline,1-(1,2-dioxopropyl)- supplier

Name
1-(1,2-DIOXOPROPYL)-S-PROLINE
EINECS
CAS No. 76391-12-3
Article Data5
CAS DataBase
Density 1.353 g/cm³
Solubility
Melting Point
Formula C₈H₁₁NO₄
Boiling Point 360.296 °C at 760 mmHg
Molecular Weight 185.18
Flash Point 171.701 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Ketopropionyl-L-proline;N-Pyruvoyl-L-proline;N-Pyruvyl-L-proline;Pyruvoyl-L-proline;
PSA 74.68000
LogP -0.41110

L-Proline,1-(1,2-dioxopropyl)- Specification

The L-Proline,1-(1,2-dioxopropyl)- is an organic compound with the formula C₈H₁₁NO₄. The systematic name of this chemical is 1-(2-oxopropanoyl)-L-proline. With the CAS registry number 76391-12-3, it is also named as 1-Pyruvoyl-L-proline.

Physical properties about L-Proline,1-(1,2-dioxopropyl)- are: (1)ACD/LogP: -0.04; (2)ACD/LogD (pH 5.5): -4; (3)ACD/LogD (pH 7.4): -6; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 74.68 Å²; (12)Index of Refraction: 1.525; (13)Molar Refractivity: 41.988 cm³; (14)Molar Volume: 136.904 cm³; (15)Polarizability: 16.646×10^-24cm³; (16)Surface Tension: 57.896 dyne/cm; (17)Density: 1.353 g/cm³; (18)Flash Point: 171.701 °C; (19)Enthalpy of Vaporization: 66.566 kJ/mol; (20)Boiling Point: 360.296 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H]1N(C(=O)C(=O)C)CCC1
(2)InChI: InChI=1/C8H11NO4/c1-5(10)7(11)9-4-2-3-6(9)8(12)13/h6H,2-4H2,1H3,(H,12,13)/t6-/m0/s1
(3)InChIKey: ZITOPJKFJBLAMM-LURJTMIEBU
(4)Std. InChI: InChI=1S/C8H11NO4/c1-5(10)7(11)9-4-2-3-6(9)8(12)13/h6H,2-4H2,1H3,(H,12,13)/t6-/m0/s1
(5)Std. InChIKey: ZITOPJKFJBLAMM-LURJTMIESA-N

Product Name

1-(1,2-DIOXOPROPYL)-S-PROLINE

L-Proline,1-(1,2-dioxopropyl)- Specification

Related Products

Hot Products