Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-(4-Propylphenyl)-5-oxopyrrolidine-3-carboxylic acid |
EINECS | N/A |
CAS No. | 133747-74-7 | Density | 1.224 g/cm3 |
PSA | 57.61000 | LogP | 2.14160 |
Solubility | N/A | Melting Point |
N/A |
Formula | C14H17NO3 | Boiling Point | 518.1 °C at 760 mmHg |
Molecular Weight | 247.29 | Flash Point | 267.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxylic acid; |
Article Data | 2 |
The 1-(4-Propylphenyl)-5-oxopyrrolidine-3-carboxylic acid with the CAS number 133747-74-7 is also called 5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxylic acid. Its molecular formula is C14H17NO3. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 1-(4-Propylphenyl)-5-oxopyrrolidine-3-carboxylic acid are: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.94; (4)ACD/LogD (pH 7.4): -0.83; (5)ACD/BCF (pH 5.5): 1.47; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.46; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.61Å2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 66.87 cm3; (15)Molar Volume: 202 cm3; (16)Polarizability: 26.51×10-24cm3; (17)Surface Tension: 52.7 dyne/cm; (18)Enthalpy of Vaporization: 83.23 kJ/mol; (19)Vapour Pressure: 1.46×10-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2N(c1ccc(cc1)CCC)CC(C(=O)O)C2
(2)InChI: InChI=1/C14H17NO3/c1-2-3-10-4-6-12(7-5-10)15-9-11(14(17)18)8-13(15)16/h4-7,11H,2-3,8-9H2,1H3,(H,17,18)
(3)InChIKey: FCAJUGBVJNATGI-UHFFFAOYAS