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741667-07-2

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Basic Information
CAS No.: 741667-07-2
Name: 1-[2-(1-PROPYL)-OXYETHYL]-PIPERAZINE
Molecular Structure:
Molecular Structure of 741667-07-2 (1-[2-(1-PROPYL)-OXYETHYL]-PIPERAZINE)
Formula: C9H20N2O
Molecular Weight: 172.271
Synonyms: 1-(2-propoxyethyl)piperazine;Piperazine, 1-(2-propoxyethyl)-;2-piperazinyl-1-propoxyethane;
Density: 0.921 g/cm3
Boiling Point: 239.8 °C at 760 mmHg
Flash Point: 98.8 °C
Hazard Symbols: IrritantXi
PSA: 24.50000
LogP: 0.58490
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Specification

The Piperazine,1-(2-propoxyethyl)-, with the CAS registry number 741667-07-2, has the systematic name and IUPAC name of 1-(2-propoxyethyl)piperazine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C9H20N2O.

The characteristics of Piperazine,1-(2-propoxyethyl)- are as followings: (1)ACD/LogP: 0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.37; (4)ACD/LogD (pH 7.4): -1.12; (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): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 15.71 Å2; (13)Index of Refraction: 1.45; (14)Molar Refractivity: 50.33 cm3; (15)Molar Volume: 187 cm3; (16)Polarizability: 19.95×10-24cm3; (17)Surface Tension: 29.5 dyne/cm; (18)Density: 0.921 g/cm3; (19)Flash Point: 98.8 °C; (20)Enthalpy of Vaporization: 47.67 kJ/mol; (21)Boiling Point: 239.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0393 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(CCN1CCNCC1)CCC
(2)InChI: InChI=1/C9H20N2O/c1-2-8-12-9-7-11-5-3-10-4-6-11/h10H,2-9H2,1H3
(3)InChIKey: APOQIEHTCZYMIW-UHFFFAOYAN