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73331-93-8

Basic Information
CAS No.: 73331-93-8
Name: PIPERAZIN-1-YL-PYRROLIDIN-1-YL-METHANONE
Article Data: 2
Molecular Structure:
Molecular Structure of 73331-93-8 (PIPERAZIN-1-YL-PYRROLIDIN-1-YL-METHANONE)
Formula: C9H17N3O
Molecular Weight: 183.253
Synonyms: Piperazine,1-(1-pyrrolidinylcarbonyl)- (9CI);(Piperazin-1-yl)(pyrrolidin-1-yl)methanone;1-(Pyrrolidin-1-ylcarbonyl)piperazine;Methanone, 1-piperazinyl-1-pyrrolidinyl-;
Density: 1.14 g/cm3
Boiling Point: 297 °C at 760 mmHg
Flash Point: 133.4 °C
Hazard Symbols: IrritantXi
PSA: 35.58000
LogP: 0.31200
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Specification

The Piperazin-1-ylpyrrolidin-1-ylmethanone, with the CAS registry number 73331-93-8, has the systematic name of 1-(pyrrolidin-1-ylcarbonyl)piperazine. It is a kind of irritant chemical, so you should be cautious while dealing with it. And it belongs to the product categoty of Piperidine. The molecular formula of the chemical is C9H17N3O.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.87; (4)ACD/LogD (pH 7.4): -0.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 11.91; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.79 Å2; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 49.94 cm3; (15)Molar Volume: 160.6 cm3; (16)Polarizability: 19.79×10-24cm3; (17)Surface Tension: 45.6 dyne/cm; (18)Density: 1.14 g/cm3; (19)Flash Point: 133.4 °C; (20)Enthalpy of Vaporization: 53.68 kJ/mol; (21)Boiling Point: 297 °C at 760 mmHg; (22)Vapour Pressure: 0.00139 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(N1CCCC1)N2CCNCC2
(2)InChI: InChI=1/C9H17N3O/c13-9(11-5-1-2-6-11)12-7-3-10-4-8-12/h10H,1-8H2
(3)InChIKey: YKELOMQESZMHBK-UHFFFAOYAB