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925889-93-6

Basic Information
CAS No.: 925889-93-6
Name: 2-Methoxy-4-(piperazin-1-yl)phenol
Molecular Structure:
Molecular Structure of 925889-93-6 (2-Methoxy-4-(piperazin-1-yl)phenol)
Formula: C11H16N2O2
Molecular Weight: 208.26
Synonyms: 2-Methoxy-4-(piperazin-1-yl) phenol;2-Methoxy-4-(1-piperazinyl)phenol;2-Methoxy-4-(piperazin-1-yl)benzolol;Phenol, 2-methoxy-4-(1-piperazinyl)-;2-Methoxy-4-piperazin-1-yl-phenol;
EINECS: 200-258-5
Density: 1.155 g/cm3
Boiling Point: 407 °C at 760 mmHg
Flash Point: 199.9 °C
PSA: 44.73000
LogP: 1.20420
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Specification

The 2-Methoxy-4-(piperazin-1-yl)phenol, with the CAS registry number 925889-93-6, has the systematic name of Phenol, 2-methoxy-4-(1-piperazinyl)-. And the molecular formula of the chemical is C11H16N2O2.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.06; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 44.73 Å2; (7)Index of Refraction: 1.561; (8)Molar Refractivity: 58.36 cm3; (9)Molar Volume: 180.1 cm3; (10)Polarizability: 23.13×10-24cm3; (11)Surface Tension: 43.5 dyne/cm; (12)Density: 1.155 g/cm3; (13)Flash Point: 199.9 °C; (14)Enthalpy of Vaporization: 68.44 kJ/mol; (15)Boiling Point: 407 °C at 760 mmHg; (16)Vapour Pressure: 3.32E-07 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Oc1ccc(cc1OC)N2CCNCC2
(2)InChI: InChI=1/C11H16N2O2/c1-15-11-8-9(2-3-10(11)14)13-6-4-12-5-7-13/h2-3,8,12,14H,4-7H2,1H3
(3)InChIKey: JNYQZYVLEBQJSV-UHFFFAOYAD