Diethyl bis(2-hydroxyethyl)aminomethylphosphonate

• CAS: 2781-11-5
• Catalog Number: ACM2781115-1
• Category: Other Products
• Molecular Weight: 255.25
• Molecular Formula: C9H22NO5P
• Synonyms: Phosphonic acid, [[bis(2-hydroxyethyl)amino]methyl]-, diethyl ester
• IUPAC Name: 2-[Diethoxyphosphorylmethyl(2-hydroxyethyl)amino]ethanol
• Canonical SMILES: CCOP(=O)(CN(CCO)CCO)OCC
• InChI: InChI=1S/C9H22NO5P/c1-3-14-16(13,15-4-2)9-10(5-7-11)6-8-12/h11-12H,3-9H2,1-2H3
• InChI Key: CCJKFLLIJCGHMO-UHFFFAOYSA-N
• Boiling Point: 150 °C
• Density: 1.180±0.06 g/cm3
• Complexity: 198
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Exact Mass: 255.1235598
• Formal Charge: 0
• Heavy Atom Count: 16
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 2
• Isotope Atom Count: 0
• Monoisotopic Mass: 255.1235598
• Physical State: Solid
• Rotatable Bond Count: 10
• Topological Polar Surface Area: 79.2 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0

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July 19, 2023

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The platform was found to be rich in chemicals upon purchase of diethyl bis(2-hydroxyethyl)aminomethylphosphonate.