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o-(1-Piperazinyl)phenol dihydrobromide

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Name

o-(1-Piperazinyl)phenol dihydrobromide

EINECS 261-190-0
CAS No. 58260-69-8 Density N/A
PSA 35.50000 LogP 3.11180
Solubility N/A Melting Point 260°C (dec.)
Formula C10H14N2O.2BrH Boiling Point 328.2 °C at 760 mmHg
Molecular Weight 340.058 Flash Point 152.3 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 58260-69-8 (1-(2-HYDROXYPHENYL)PIPERAZINE DIHYDROBROMIDE) Hazard Symbols IrritantXi
Synonyms

Phenol,2-(1-piperazinyl)-, dihydrobromide (9CI);1-(2-Hydroxyphenyl)piperazinedihydrobromide;2-(1-Piperazinyl)phenol dihydrobromide;N-(2-Hydroxyphenyl)piperazine dihydrobromide;

Article Data 7

o-(1-Piperazinyl)phenol dihydrobromide Specification

This chemical is called o-(1-Piperazinyl)phenol dihydrobromide, and its systematic name is 1-(2-hydroxyphenyl)piperazinediium dibromide. With the molecular formula of C10H14N2O.2BrH, its molecular weight is 340.05. The CAS registry number of this chemical is 58260-69-8.

Other characteristics of the o-(1-Piperazinyl)phenol dihydrobromide can be summarised as followings: (1)ACD/LogP: 0.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.33; (4)ACD/LogD (pH 7.4): -0.7; (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): 3.18; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Flash Point: 152.3 °C; (14)Enthalpy of Vaporization: 59.32 kJ/mol; (15)Boiling Point: 328.2 °C at 760 mmHg; (16)Vapour Pressure: 0.000101 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: [Br-].[Br-].Oc1ccccc1[NH+]2CC[NH2+]CC2
2.InChI: InChI=1/C10H14N2O.2BrH/c13-10-4-2-1-3-9(10)12-7-5-11-6-8-12;;/h1-4,11,13H,5-8H2;2*1H
3.InChIKey: YWZWSACJABVWJL-UHFFFAOYAF

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