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| CAS No.: | 85896-18-0 |
|---|---|
| Name: | bis[(2-hydroxyethyl)ammonium] glutarate |
| Molecular Structure: | |
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| Formula: | C9H22N2O6 |
| Molecular Weight: | 254.2808 |
| Synonyms: | bis[(2-hydroxyethyl)ammonium] glutarate;Einecs 288-795-2 |
| EINECS: | 288-795-2 |
| Boiling Point: | 575.9 °C at 760 mmHg |
| Flash Point: | 302.1 °C |
| PSA: | 167.10000 |
| LogP: | -0.39870 |
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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