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Name |
1-Pyrrolidinecarboxylicacid, 2,2-dimethyl-3-oxo-, ethyl ester |
EINECS | N/A |
CAS No. | 106556-66-5 | Density | 1.097 g/cm3 |
PSA | 46.61000 | LogP | 1.13420 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H15NO3 | Boiling Point | 263.7 °C at 760 mmHg |
Molecular Weight | 185.223 | Flash Point | 113.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,2-Dimethyl-3-oxo-pyrrolidine-1-carboxylic acid ethyl ester;Ethyl 2,2-dimethyl-3-oxo-pyrrolidine-1-carboxylate;1-Pyrrolidinecarboxylic acid, 2,2-diMethyl-3-oxo-, ethyl ester;2,2-Dimethyl-3-oxo-1-pyrrolidinecarboxylic acid ethyl ester;Ethyl 2,2-diMethyl-3-oxo-pyrrolidine-1-carboxylate ethyl |
This chemical is called 1-Pyrrolidinecarboxylicacid, 2,2-dimethyl-3-oxo-, ethyl ester, and its IUPAC name is ethyl 2,2-dimethyl-3-oxopyrrolidine-1-carboxylate. With the molecular formula of C9H15NO3, its molecular weight is 185.22. The CAS registry number of this chemical is 106556-66-5.
Other characteristics of the 1-Pyrrolidinecarboxylicacid, 2,2-dimethyl-3-oxo-, ethyl ester can be summarised as followings: (1)ACD/LogP: 0.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.36; (4)ACD/LogD (pH 7.4): 0.36; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 46.61 Å2; (9)Index of Refraction: 1.469; (10)Molar Refractivity: 47.04 cm3; (11)Molar Volume: 168.8 cm3; (12)Polarizability: 18.65×10-24cm3; (13)Surface Tension: 36.2 dyne/cm; (14)Density: 1.097 g/cm3; (15)Flash Point: 113.3 °C; (16)Enthalpy of Vaporization: 50.15 kJ/mol; (17)Boiling Point: 263.7 °C at 760 mmHg; (18)Vapour Pressure: 0.0101 mmHg at 25°C.
Uses of this chemical: The ethyl 4,4-dibromo-2,2-dimethyl-3-oxopyrrolidine-1-carboxylate could be obtained by the reactant of 1-Pyrrolidinecarboxylicacid, 2,2-dimethyl-3-oxo-, ethyl ester. This reaction needs the reagent of Br2, and the solvent of CCl4. The yield is 91 %.
You can still convert the following datas into molecular structure:
1.SMILES: CC1(C)C(=O)CCN1C(=O)OCC
2.InChI: InChI=1/C9H15NO3/c1-4-13-8(12)10-6-5-7(11)9(10,2)3/h4-6H2,1-3H3
3.InChIKey: HWPDAUHYYHRPNF-UHFFFAOYAA