Basic Information | Post buying leads | Suppliers |
Name |
Methyl 1-Benzyl-5-oxopyrrolidine-3-carboxylate |
EINECS | 257-257-9 |
CAS No. | 51523-00-3 | Density | 1.213 g/cm3 |
PSA | 0.00000 | LogP | 2.96000 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H15NO3 | Boiling Point | 396.6 °C at 760 mmHg |
Molecular Weight | 233.26 | Flash Point | 193.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Pyrrolidinecarboxylic acid,5-oxo-1-(phenylmethyl)-,methyl ester;Methyl 5-oxo-1-benzylpyrrolidine-3-carboxylate; |
The systematic name of this chemical is Methyl 1-Benzyl-5-oxopyrrolidine-3-carboxylate. The CAS registry number is 51523-00-3. In addition, the molecular formula is C13H15NO3 and the molecular weight is 233.26. It is also called 3-pyrrolidinecarboxylic acid,5-oxo-1-(phenylmethyl)-,methyl ester. What's more, it should be stored in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 1.10; (2)ACD/LogD (pH 5.5): 1.1; (3)ACD/LogD (pH 7.4): 1.1; (4)ACD/BCF (pH 5.5): 4.06; (5)ACD/BCF (pH 7.4): 4.06; (6)ACD/KOC (pH 5.5): 94.9; (7)ACD/KOC (pH 7.4): 94.9; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 46.61 Å2; (11)Index of Refraction: 1.561; (12)Molar Refractivity: 62.26 cm3; (13)Molar Volume: 192.1 cm3; (14)Polarizability: 24.68 ×10-24cm3; (15)Surface Tension: 49.4 dyne/cm; (16)Density: 1.213 g/cm3; (17)Flash Point: 193.6 °C; (18)Enthalpy of Vaporization: 64.69 kJ/mol; (19)Boiling Point: 396.6 °C at 760 mmHg; (20)Vapour Pressure: 1.69E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2N(Cc1ccccc1)CC(C(=O)OC)C2
(2)InChI: InChI=1/C13H15NO3/c1-17-13(16)11-7-12(15)14(9-11)8-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
(3)InChIKey: WTRWSSDZHQOPJI-UHFFFAOYAW