Product Name

  • Name

    bis[(2-hydroxyethyl)ammonium] glutarate

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

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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