CAS No.2687-97-0,1-(allyl)pyrrolidin-2-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2687-97-0
Name:	1-(allyl)pyrrolidin-2-one
Article Data:	30

Formula:	C₇H₁₁NO
Molecular Weight:	125.17
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;
EINECS:	220-251-1
Density:	0.997 g/cm³
Boiling Point:	234.2 °C at 760 mmHg
Flash Point:	99.3 °C
PSA:	20.31000
LogP:	0.73270

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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