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N-(2,6-Dichlorobenzyl)ethanolamine

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Name

N-(2,6-Dichlorobenzyl)ethanolamine

EINECS N/A
CAS No. 40172-05-2 Density 1.302 g/cm3
PSA 32.26000 LogP 2.46620
Solubility N/A Melting Point 57-59 °C
Formula C9H11Cl2NO Boiling Point 347.2 °C at 760 mmHg
Molecular Weight 220.098 Flash Point 163.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 40172-05-2 (N-(2,6-Dichlorobenzyl)ethanolamine) Hazard Symbols N/A
Synonyms

N-(2,6-dichlorobenzyl)ethanolamine;2-(2,6-Dichlor-benzylamino)-aethanol;2-[(2,6-dichlorobenzyl)amino]ethanol;

 

N-(2,6-Dichlorobenzyl)ethanolamine Specification

The cas register number of N-(2,6-Dichlorobenzyl)ethanolamine is 40172-05-2. The Systematic name about this chemical is 2-[(2,6-dichlorobenzyl)amino]ethanol.

Physical properties about N-(2,6-Dichlorobenzyl)ethanolamine are: (1)ACD/LogP: 2.32; (2)ACD/LogD (pH 5.5): 0.38; (3)ACD/LogD (pH 7.4): 1.99; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 15.85; (6)ACD/KOC (pH 5.5): 5.02; (7)ACD/KOC (pH 7.4): 202.02; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 12.47 Å2; (12)Index of Refraction: 1.568; (13)Molar Refractivity: 55.35 cm3; (14)Molar Volume: 168.9 cm3; (15)Polarizability: 21.94x10-24cm3; (16)Surface Tension: 46 dyne/cm; (17)Enthalpy of Vaporization: 62.42 kJ/mol; (18)Vapour Pressure: 2.06E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cccc(Cl)c1CNCCO
(2)InChI: InChI=1/C9H11Cl2NO/c10-8-2-1-3-9(11)7(8)6-12-4-5-13/h1-3,12-13H,4-6H2
(3)InChIKey: WHOLKBDVEGPXOL-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C9H11Cl2NO/c10-8-2-1-3-9(11)7(8)6-12-4-5-13/h1-3,12-13H,4-6H2
(5)Std. InChIKey: WHOLKBDVEGPXOL-UHFFFAOYSA-N

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