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Bis((2-hydroxyethyl)ammonium) glutarate

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Name

Bis((2-hydroxyethyl)ammonium) glutarate

EINECS 288-795-2
CAS No. 85896-18-0 Density N/A
PSA 167.10000 LogP -0.39870
Solubility N/A Melting Point N/A
Formula C9H22N2O6 Boiling Point 575.9 °C at 760 mmHg
Molecular Weight 254.2808 Flash Point 302.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 85896-18-0 (bis[(2-hydroxyethyl)ammonium] glutarate) Hazard Symbols N/A
Synonyms

bis[(2-hydroxyethyl)ammonium] glutarate;Einecs 288-795-2

 

Bis((2-hydroxyethyl)ammonium) glutarate Specification

The Bis((2-hydroxyethyl)ammonium) glutarate, with CAS registry number 85896-18-0, has the systematic name of bis(2-hydroxyethanaminium) pentanedioate. And the chemical formula of this chemical is C9H22N2O6. What's more, its EINECS is 288-795-2.

Physical properties of Bis((2-hydroxyethyl)ammonium) glutarate: (1)# of Rule of 5 Violations: 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 8; (7)#H bond donors: 8; (8)#Freely Rotating Bonds: 10; (9)Polar Surface Area: 176 Å2; (10)Flash Point: 302.1 °C; (11)Enthalpy of Vaporization: 99.04 kJ/mol; (12)Boiling Point: 575.9 °C at 760 mmHg; (13)Vapour Pressure: 1.17E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C([O-])CCCC([O-])=O.[NH3+]CCO.[NH3+]CCO
(2)InChI: InChI=1/C5H8O4.2C2H7NO/c6-4(7)2-1-3-5(8)9;2*3-1-2-4/h1-3H2,(H,6,7)(H,8,9);2*4H,1-3H2
(3)InChIKey: HXEQXXHIYGOZJP-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C5H8O4.2C2H7NO/c6-4(7)2-1-3-5(8)9;2*3-1-2-4/h1-3H2,(H,6,7)(H,8,9);2*4H,1-3H2
(5)Std. InChIKey: HXEQXXHIYGOZJP-UHFFFAOYSA-N

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