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2-Pyrrolidinone,1-(2-propen-1-yl)-

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Name

2-Pyrrolidinone,1-(2-propen-1-yl)-

EINECS 220-251-1
CAS No. 2687-97-0 Density 0.997 g/cm3
PSA 20.31000 LogP 0.73270
Solubility N/A Melting Point N/A
Formula C7H11NO Boiling Point 234.2 °C at 760 mmHg
Molecular Weight 125.17 Flash Point 99.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 2687-97-0 (1-(allyl)pyrrolidin-2-one) Hazard Symbols N/A
Synonyms

2-Pyrrolidinone,1-(2-propenyl)- (9CI);2-Pyrrolidinone, 1-allyl- (6CI,7CI,8CI);1-Allyl-2-oxopyrrolidine;1-Allyl-2-pyrrolidinone;N-Allyl-2-pyrrolidinone;N-Allyl-2-pyrrolidone;N-Allylpyrrolidone;NSC 14674;

Article Data 30

2-Pyrrolidinone,1-(2-propen-1-yl)- Specification

The 2-Pyrrolidinone,1-(2-propen-1-yl)- is an organic compound with the formula C7H11NO. The IUPAC name of this chemical is 1-Prop-2-enylpyrrolidin-2-one. With the CAS registry number 2687-97-0, it is also named as 1-Allylpyrrolidin-2-one. Besides, its molecular weight is 125.1683.

The physical properties of 2-Pyrrolidinone,1-(2-propen-1-yl)- are: (1)ACD/LogP: 0.43; (2)ACD/LogD (pH 5.5): 0.43; (3)ACD/LogD (pH 7.4): 0.43; (4)ACD/BCF (pH 5.5): 1.25; (5)ACD/BCF (pH 7.4): 1.25; (6)ACD/KOC (pH 5.5): 40.8; (7)ACD/KOC (pH 7.4): 40.8; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 20.31 Å2; (11)Index of Refraction: 1.483; (12)Molar Refractivity: 35.82 cm3; (13)Molar Volume: 125.4 cm3; (14)Polarizability: 14.2×10-24 cm3; (15)Surface Tension: 33.3 dyne/cm; (16)Density: 0.997 g/cm3; (17)Flash Point: 99.3 °C; (18)Enthalpy of Vaporization: 47.09 kJ/mol; (19)Boiling Point: 234.2 °C at 760 mmHg; (20)Vapour Pressure: 0.0536 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1N(C\C=C)CCC1
(2)InChI: InChI=1/C7H11NO/c1-2-5-8-6-3-4-7(8)9/h2H,1,3-6H2
(3)InChIKey: DURRSEGFTCZKMK-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C7H11NO/c1-2-5-8-6-3-4-7(8)9/h2H,1,3-6H2
(5)Std. InChIKey: DURRSEGFTCZKMK-UHFFFAOYSA-N

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