CAS No.91596-61-1,1-PIPERIDIN-4-YLPYRROLIDIN-2-ONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	91596-61-1
Name:	1-PIPERIDIN-4-YLPYRROLIDIN-2-ONE
Article Data:	8

Formula:	C₉H₁₆N₂O
Molecular Weight:	168.239
Synonyms:	1-(4-Piperidinyl)-2-pyrrolidinone;4-(2-Oxo-1-pyrrolidinyl)piperidine;
Density:	1.104 g/cm³
Melting Point:	106.2℃
Boiling Point:	320.169 °C at 760 mmHg
Flash Point:	147.433 °C
PSA:	32.34000
LogP:	0.62750

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Specification

This chemical is called 2-Pyrrolidinone,1-(4-piperidinyl)-, and its systematic name is 1-(piperidin-4-yl)pyrrolidin-2-one. With the molecular formula of C₉H₁₆N₂O, its molecular weight is 168.24. The CAS registry number of this chemical is 91596-61-1.

Other characteristics of the 2-Pyrrolidinone,1-(4-piperidinyl)- can be summarised as followings: (1)ACD/LogP: -0.34; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 32.34 Å²; (11)Index of Refraction: 1.523; (12)Molar Refractivity: 46.594 cm³; (13)Molar Volume: 152.414 cm³; (14)Polarizability: 18.471×10^-24cm³; (15)Surface Tension: 42.496 dyne/cm; (16)Density: 1.104 g/cm³; (17)Flash Point: 147.433 °C; (18)Enthalpy of Vaporization: 56.182 kJ/mol; (19)Boiling Point: 320.169 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: C1CC(=O)N(C1)C2CCNCC2
2.InChI: InChI=1/C9H16N2O/c12-9-2-1-7-11(9)8-3-5-10-6-4-8/h8,10H,1-7H2
3.InChIKey: CCWNMBJRWFCCOD-UHFFFAOYAF