CAS No.3470-99-3,1-Propylpyrrolidin-2-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3470-99-3
Name:	1-Propylpyrrolidin-2-one
Article Data:	15

Formula:	C₇H₁₃NO
Molecular Weight:	127.186
Synonyms:	1-Propyl-2-pyrrolidinone;1-Propyl-2-pyrrolidone;N-Propyl-2-pyrrolidinone;N-Propyl-2-pyrrolidone;N-Propylpyrrolidone;
Density:	0.976 g/cm³
Melting Point:	53-54 °C
Boiling Point:	226.5 °C at 760 mmHg
Flash Point:	96.341 °C
Appearance:	Colourless clear liquid
PSA:	20.31000
LogP:	0.95670

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Specification

The IUPAC name of 1-Propylpyrrolidin-2-one is 1-propylpyrrolidin-2-one. With the CAS registry number 3470-99-3, it is also named as 2-Pyrrolidinone,1-propyl-. The product's category is Pyrrole & Pyrrolidine & Pyrroline. Besides, it is corlorless clear liquid. In addition, its molecular formula is C₇H₁₃NO and molecular weight is 127.18.

The other characteristics of 1-Propylpyrrolidin-2-one can be summarized as: (1)ACD/LogP: 0.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.66; (4)ACD/LogD (pH 7.4): 0.66; (5)ACD/BCF (pH 5.5): 1.88; (6)ACD/BCF (pH 7.4): 1.88; (7)ACD/KOC (pH 5.5): 54.77; (8)ACD/KOC (pH 7.4): 54.77; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.466; (14)Molar Refractivity: 36.1 cm³; (15)Molar Volume: 130.3 cm³; (16)Polarizability: 14.31×10^-24cm³; (17)Surface Tension: 32.9 dyne/cm; (18)Density: 0.975 g/cm³; (19)Flash Point: 96.3 °C; (20)Enthalpy of Vaporization: 46.3 kJ/mol; (21)Boiling Point: 226.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0818 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C1N(CCC)CCC1
(2)InChI: InChI=1/C7H13NO/c1-2-5-8-6-3-4-7(8)9/h2-6H2,1H3
(3)InChIKey: DCALJVULAGICIX-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C7H13NO/c1-2-5-8-6-3-4-7(8)9/h2-6H2,1H3
(5)Std. InChIKey: DCALJVULAGICIX-UHFFFAOYSA-N