triethyl sodiomethanetricarboxylate

• ChemBase ID: 150233
• Molecular Formular: C10H15NaO6
• Molecular Mass: 254.21227
• Monoisotopic Mass: 254.07663248
• SMILES: CCOC(=O)C(C(=O)OCC)(C(=O)OCC)[Na]
• Canonical SMILES: CCOC(=O)C(C(=O)OCC)(C(=O)OCC)[Na]
• InChI: InChI=1S/C10H15O6.Na/c1-4-14-8(11)7(9(12)15-5-2)10(13)16-6-3;/h4-6H2,1-3H3
• InChIKey: GOQQCRDMVKHETL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: triethyl sodiomethanetricarboxylate
• IUPAC Traditional name: triethyl sodiomethanetricarboxylate
• Synonyms: Triethyl methanetricarboxylate sodium derivative; 甲烷三羧酸三乙酯 钠衍生物

Database IDs

• CAS Number: 68922-87-2
• MDL Number: MFCD00192519
• PubChem SID: 24864241; 162244394
• PubChem CID: 4691621

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.4212
• LogD (pH = 7.4): 0.4212
• Log P: 0.4212
• Molar Refractivity: 52.514 cm^3
• Polarizability: 23.27828 Å^3
• Polar Surface Area: 78.9 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 196-200 °C(lit.)

Safety Information

• UN Number: 3263
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• RID/ADR: UN 3263 8/PG 2

Product Information

• Purity: 98%
• Linear Formula: NaC(CO2C2H5)3

DETAILS

Sigma Aldrich - 388629

Packaging
5, 25 g in glass bottle