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27612-67-5

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Basic Information
CAS No.: 27612-67-5
Name: 1-ALLYL-4-(2-HYDROXYETHYL)-PIPERAZINE
Molecular Structure:
Molecular Structure of 27612-67-5 (1-ALLYL-4-(2-HYDROXYETHYL)-PIPERAZINE)
Formula: C9H18N2O
Molecular Weight: 170.255
Synonyms: 1-Piperazineethanol,4-(2-propenyl)- (9CI);1-Piperazineethanol, 4-allyl- (8CI);2-(4-prop-2-en-1-ylpiperazin-1-yl)ethanol;2-(4-Allylpiperazin-1-yl)ethanol;2-[4-(prop-2-en-1-yl)piperazin-1-yl]ethanol;
Density: 0.985 g/cm3
Boiling Point: 267.3 °C at 760 mmHg
Flash Point: 117.6 °C
PSA: 26.71000
LogP: -0.34190
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Specification

The 1-Piperazineethanol,4-(2-propen-1-yl)-, with the CAS registry number 27612-67-5, has the systematic name of 2-(4-prop-2-en-1-ylpiperazin-1-yl)ethanol. It belongs to the product category of Piperaizine. And the molecular formula of the chemical is C9H18N2O.

The characteristics of 1-Piperazineethanol,4-(2-propen-1-yl)- are as followings: (1)ACD/LogP: -0.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.27; (4)ACD/LogD (pH 7.4): -0.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.4; (8)ACD/KOC (pH 7.4): 18.12; (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: 1.491; (14)Molar Refractivity: 50.12 cm3; (15)Molar Volume: 172.8 cm3; (16)Polarizability: 19.87×10-24cm3; (17)Surface Tension: 34.7 dyne/cm; (18)Density: 0.985 g/cm3; (19)Flash Point: 117.6 °C; (20)Enthalpy of Vaporization: 58.68 kJ/mol; (21)Boiling Point: 267.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00112 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OCCN1CCN(CC1)C\C=C
(2)InChI: InChI=1/C9H18N2O/c1-2-3-10-4-6-11(7-5-10)8-9-12/h2,12H,1,3-9H2
(3)InChIKey: OIIANXCKEGUVFK-UHFFFAOYAN