(1-14C)naphthalen-1-ol

• ChemBase ID: 131742
• Molecular Formular: C10H8O
• Molecular Mass: 146.16246199
• Monoisotopic Mass: 146.06075687
• SMILES: c1ccc2c(c1)ccc[14c]2O
• Canonical SMILES: O[14c]1cccc2c1cccc2
• InChI: InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H/i10+2
• InChIKey: KJCVRFUGPWSIIH-HRVHXUPCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-^1^4C)naphthalen-1-ol
• IUPAC Traditional name: (1-^1^4C)naphthalen-1-ol
• Synonyms: 1-Naphthol-1-14C

Database IDs

• CAS Number: 19481-11-9
• MDL Number: MFCD00069519
• PubChem SID: 162226019; 24857910
• PubChem CID: 10997175

CALCULATED PROPERTIES

• Acid pKa: 9.601542
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6591232
• LogD (pH = 7.4): 2.6564522
• Log P: 2.6591573
• Molar Refractivity: 44.4891 cm^3
• Polarizability: 18.54935 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Mass Shift: M+2

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 1294
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-38-41-48/20-63-65-67
• Safety Statements: 26-36/37/39-62
• RID/ADR: UN 1294 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Extent of Labeling: 1-10 mCi per mmol

DETAILS

Sigma Aldrich - 297380

包装
sealed ampule