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224309-80-2

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Basic Information
CAS No.: 224309-80-2
Name: Piperazine,1-[3-(1-pyrrolidinyl)propyl]-
Article Data: 3
Molecular Structure:
Molecular Structure of 224309-80-2 (Piperazine,1-[3-(1-pyrrolidinyl)propyl]-)
Formula: C11H23N3
Molecular Weight: 197.324
Synonyms: 1-[3-(1-Pyrrolidino)propyl]piperazine 97%;
Density: 0.969 g/cm3
Boiling Point: 290.2 °C at 760 mmHg
Flash Point: 133.1 °C
Hazard Symbols: IrritantXi
PSA: 18.51000
LogP: 0.58210
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Specification

The Piperazine,1-[3-(1-pyrrolidinyl)propyl]-, with the CAS registry number of 224309-80-2, is also known as 1-[3-(1-Pyrrolidino)propyl]piperazine 97%. This chemical's molecular formula is C11H23N3. What's more, its systematic name is 1-(3-Pyrrolidin-1-ylpropyl)piperazine.

Physical properties about the Piperazine,1-[3-(1-pyrrolidinyl)propyl]- are: (1)ACD/LogP: 0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.21; (4)ACD/LogD (pH 7.4): -2.96; (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: 4; (12)Polar Surface Area: 9.72 Å2; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 59.34 cm3; (15)Molar Volume: 203.4 cm3; (16)Surface Tension: 34.3 dyne/cm; (17)Density: 0.969 g/cm3; (18)Flash Point: 133.1 °C; (19)Enthalpy of Vaporization: 52.96 kJ/mol; (20)Boiling Point: 290.2 °C at 760 mmHg; (21)Vapour Pressure: 0.0021 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N2CCN(CCCN1CCCC1)CC2
(2) InChI: InChI=1/C11H23N3/c1-2-7-13(6-1)8-3-9-14-10-4-12-5-11-14/h12H,1-11H2
(3) InChIKey: JAXVYOQQRAMPQD-UHFFFAOYAJ