(1-14C)propan-1-ol

• ChemBase ID: 131499
• Molecular Formular: C3H8O
• Molecular Mass: 62.08756199
• Monoisotopic Mass: 62.06075687
• SMILES: CC[14CH2]O
• Canonical SMILES: CC[14CH2]O
• InChI: InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3/i3+2
• InChIKey: BDERNNFJNOPAEC-YZRHJBSPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-^1^4C)propan-1-ol
• IUPAC Traditional name: (1-^1^4C)propan-1-ol
• Synonyms: propyl-1-14C alcohol; 1-Propanol-1-14C

Database IDs

• CAS Number: 16504-75-9
• MDL Number: MFCD00055841
• PubChem SID: 162225777
• PubChem CID: 12201031

CALCULATED PROPERTIES

• Acid pKa: 16.84662
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.36075327
• LogD (pH = 7.4): 0.36075327
• Log P: 0.36075327
• Molar Refractivity: 17.5339 cm^3
• Polarizability: 6.874204 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 2910
• German water hazard class: 3
• Hazard Class: 7
• Risk Statements: 11-41-67
• Safety Statements: 7-16-24-26-39
• RID/ADR: UN 2910 7
• Storage Temperature: 2-8°C

DETAILS

Sigma Aldrich - 314153

包装
Break-seal ampule