sodium (1-14C)propanoate

• ChemBase ID: 132207
• Molecular Formular: C3H5NaO2
• Molecular Mass: 98.05291199
• Monoisotopic Mass: 98.02196567
• SMILES: CC[14C](=O)O[Na]
• Canonical SMILES: CC[14C](=O)O[Na]
• InChI: InChI=1S/C3H6O2.Na/c1-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1/i3+2
• InChIKey: JXKPEJDQGNYQSM-REVVOINZSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium (1-^1^4C)propanoate
• IUPAC Traditional name: sodium (1-^1^4C)propanoate
• Synonyms: Propionic acid-1-14C sodium salt

Database IDs

• CAS Number: 4561-17-5
• MDL Number: MFCD00055824
• PubChem SID: 162226484; 24857913
• PubChem CID: 16211882

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.7715
• LogD (pH = 7.4): 0.7715
• Log P: 0.7715
• Molar Refractivity: 16.343 cm^3
• Polarizability: 8.731687 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Mass Shift: M+2

Safety Information

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

Product Information

• Extent of Labeling: 1-10 mCi per mmol

DETAILS

Sigma Aldrich - 297453

包装
sealed ampule