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1-(2-Methoxyethyl)-2-pyrrolidinone

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Name

1-(2-Methoxyethyl)-2-pyrrolidinone

EINECS 257-294-0
CAS No. 51576-82-0 Density 1.047 g/cm3
PSA 29.54000 LogP 0.19310
Solubility N/A Melting Point N/A
Formula C7H13NO2 Boiling Point 251.2 °C at 760 mmHg
Molecular Weight 143.18 Flash Point 105.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 51576-82-0 (1-(2-Methoxyethyl)-2-pyrrolidinone) Hazard Symbols N/A
Synonyms

2-pyrrolidinone, 1-(2-methoxyethyl)-;1-(2-Methoxyethyl)-2-pyrrolidinone;Methyl 1-(2-oxo-1-pyrrolidinyl)ethyl ether;1-(2-methoxyethyl)pyrrolidin-2-one;1-Methoxyethyl-2-Pyrrolidone;1-(2-Methoxyethyl)pyrrolidin-2-one;

 

1-(2-Methoxyethyl)-2-pyrrolidinone Specification

The 1-(2-Methoxyethyl)-2-pyrrolidinone, with the CAS registry number 51576-82-0 and EINECS registry number 257-294-0, has the systematic name of 1-(2-methoxyethyl)pyrrolidin-2-one. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C7H13NO2.

The characteristics of 1-(2-Methoxyethyl)-2-pyrrolidinone are as followings: (1)ACD/LogP: -0.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.39; (4)ACD/LogD (pH 7.4): -0.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.65; (8)ACD/KOC (pH 7.4): 14.65; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 37.84 cm3; (15)Molar Volume: 136.7 cm3; (16)Polarizability: 15×10-24cm3; (17)Surface Tension: 35 dyne/cm; (18)Density: 1.047 g/cm3; (19)Flash Point: 105.7 °C; (20)Enthalpy of Vaporization: 48.85 kJ/mol; (21)Boiling Point: 251.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0207 mmHg at 25°C.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C1N(CCOC)CCC1
(2)InChI: InChI=1/C7H13NO2/c1-10-6-5-8-4-2-3-7(8)9/h2-6H2,1H3
(3)InChIKey: QKGBRANQIWBMED-UHFFFAOYAE

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