L-Proline,1-(1-oxobutyl)- supplier

Name
1-(1-oxobutyl)-L-proline
EINECS 245-696-9
CAS No. 23500-13-2
Article Data8
CAS DataBase
Density 1.185 g/cm³
Solubility
Melting Point
Formula C₉H₁₅NO₃
Boiling Point 378.5 °C at 760 mmHg
Molecular Weight 185.223
Flash Point 182.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Butanoylpyrrolidine-2-carboxylic acid;1-Butanoylproline;
PSA 57.61000
LogP 0.80000

L-Proline,1-(1-oxobutyl)- Specification

The L-Proline,1-(1-oxobutyl)-, with the CAS registry number 23500-13-2, is also known as 1-Butanoylpyrrolidine-2-carboxylic acid. Its EINECS number is 245-696-9. This chemical's molecular formula is C₉H₁₅NO₃ and molecular weight is 185.22. What's more, its systematic name is 1-Butanoylproline.

Physical properties of L-Proline,1-(1-oxobutyl)- are: (1)ACD/LogP: 0.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.44; (4)ACD/LogD (pH 7.4): -3.09; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 46.59 cm³; (15)Molar Volume: 156.2 cm³; (16)Polarizability: 18.47×10^-24 cm³; (17)Surface Tension: 48.5 dyne/cm; (18)Density: 1.185 g/cm³; (19)Flash Point: 182.7 °C; (20)Enthalpy of Vaporization: 68.78 kJ/mol; (21)Boiling Point: 378.5 °C at 760 mmHg; (22)Vapour Pressure: 8.96E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C1N(C(=O)CCC)CCC1
(2)InChI: InChI=1/C9H15NO3/c1-2-4-8(11)10-6-3-5-7(10)9(12)13/h7H,2-6H2,1H3,(H,12,13)
(3)InChIKey: PNRXXKVCHJXHPZ-UHFFFAOYAR

Product Name

1-(1-oxobutyl)-L-proline

L-Proline,1-(1-oxobutyl)- Specification

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