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Home> Encyclopedia > Hot Product Listed 2   > 2-Piperazineethanol,4-(phenylmethyl)-, (2S)-
1187927-12-3 structure

2-Piperazineethanol,4-(phenylmethyl)-, (2S)-

CAS No.:1187927-12-3
Molecular Weight:219.70842
Molecular Formula:C8H9NO2 (isomer)
Properties
Density
1.058
Boiling Point
357 °C at 760 mmHg
Flash Point
231.7 °C at 760 mmHg
Safety and Handling
Specification

The (S)-4-(Phenylmethyl)-2-piperazineethanol with cas registry number of 477220-33-0, has the systematic name of 2-[(2S)-4-benzylpiperazin-2-yl]ethanol. And its IUPAC name is 2-[(2R)-4-benzylpiperazin-2-yl]ethanol. Besides this, it is also called 2-piperazineethanol, 4-(phenylmethyl)-, (2S)-.

Physical properties about this chemical are: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 4.25; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 35.5 Å2; (11)Index of Refraction: 1.544; (12)Molar Refractivity: 65.38 cm3; (13)Molar Volume: 206.9 cm3; (14)Polarizability: 25.92×10-24cm3; (15)Surface Tension: 41.1 dyne/cm; (16)Enthalpy of Vaporization: 64.7 kJ/mol; (17)Vapour Pressure: 5.04E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: OCC[C@H]2CN(Cc1ccccc1)CCN2
(2)InChI: InChI=1/C13H20N2O/c16-9-6-13-11-15(8-7-14-13)10-12-4-2-1-3-5-12/h1-5,13-14,16H,6-11H2/t13-/m0/s1
(3)InChIKey: YIYKZUCYKKNQFH-ZDUSSCGKBC
(4)Std. InChI: InChI=1S/C13H20N2O/c16-9-6-13-11-15(8-7-14-13)10-12-4-2-1-3-5-12/h1-5,13-14,16H,6-11H2/t13-/m0/s1
(5)Std. InChIKey: YIYKZUCYKKNQFH-ZDUSSCGKSA-N

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

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