sodium (1-14C)acetate

• ChemBase ID: 153469
• Molecular Formular: C2H3NaO2
• Molecular Mass: 84.02633199
• Monoisotopic Mass: 84.00631561
• SMILES: C[14C](=O)O[Na]
• Canonical SMILES: C[14C](=O)O[Na]
• InChI: InChI=1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1/i2+2
• InChIKey: VMHLLURERBWHNL-UOEUYCPOSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium (1-^1^4C)acetate
• IUPAC Traditional name: sodium (1-^1^4C)acetate
• Synonyms: Acetic acid-1-14C sodium salt; Sodium acetate-1-14C

Database IDs

• CAS Number: 993-04-4
• MDL Number: MFCD00070381
• PubChem SID: 24858535; 162247608
• PubChem CID: 16211956

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.1433
• LogD (pH = 7.4): 0.1433
• Log P: 0.1433
• Molar Refractivity: 11.7161 cm^3
• Polarizability: 6.921975 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: aqueous solution
• Mass Shift: M+2

Safety Information

• UN Number: 2910
• German water hazard class: 3
• Hazard Class: 7
• RID/ADR: UN 2910 7
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98% radiochemical purity basis (HPLC)
• Extent of Labeling: 40-60 mCi per mmol
• Linear Formula: C2H3O2Na

DETAILS

Sigma Aldrich - 311588

Packaging
Combi-vial