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57227-28-8

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Basic Information
CAS No.: 57227-28-8
Name: 4-(3-Chloropropyl)-1-piperazine ethanol
Article Data: 13
Molecular Structure:
Molecular Structure of 57227-28-8 (4-(3-Chloropropyl)-1-piperazine ethanol)
Formula: C9H19ClN2O
Molecular Weight: 206.71
Synonyms: 1-Piperazineethanol, 4-(3-chloropropyl)-;
Density: 1.093 g/cm3
Boiling Point: 323 °C at 760 mmHg
Flash Point: 149.1 °C
PSA: 26.71000
LogP: 0.10100
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Specification

The 4-(3-Chloropropyl)-1-piperazine ethanol, with the CAS registry number 57227-28-8, is also known as 1-Piperazineethanol, 4-(3-chloropropyl)-. This chemical's molecular formula is C9H19ClN2O and molecular weight is 206.71. What's more, its systematic name is called 2-[4-(3-Chloropropyl)piperazin-1-yl]ethanol.

Physical properties about 4-(3-Chloropropyl)-1-piperazine ethanol are: (1)ACD/LogP: 0.11; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 15.71 Å2; (7)Index of Refraction: 1.496; (8)Molar Refractivity: 55.25 cm3; (9)Molar Volume: 189.1 cm3; (10)Surface Tension: 37.9 dyne/cm; (11)Density: 1.093 g/cm3; (12)Flash Point: 149.1 °C; (13)Enthalpy of Vaporization: 65.47 kJ/mol; (14)Boiling Point: 323 °C at 760 mmHg; (15)Vapour Pressure: 2.14E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClCCCN1CCN(CCO)CC1
(2) InChI: InChI=1/C9H19ClN2O/c10-2-1-3-11-4-6-12(7-5-11)8-9-13/h13H,1-9H2
(3) InChIKey: PPXLQETZAQHSSL-UHFFFAOYAF